SCHEMBL29381820

SCHEMBL29381820

Cc1nc(N=Nc2cc(S(=O)(=O)[O-])c3cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c3c2)c(COP(=O)([O-])[O-])c(C=O)c1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 3/20 1.00
▸ P2RY1 known ✓ P47900 4/20 0.55
▸ P2RY4 known ✓ P51582 1/20 0.46
▸ P2RY6 known ✓ Q15077 1/20 0.46
▸ MAPT P10636 8/20 1.00
▸ TDP1 Q9NUW8 8/20 1.00
▸ KMT2A Q03164 6/20 1.00
▸ KDM4E B2RXH2 6/20 1.00
▸ HPGD P15428 5/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ HSD17B10 Q99714 4/20 1.00
▸ RECQL P46063 3/20 1.00
▸ POLB P06746 3/20 1.00
▸ APEX1 P27695 3/20 1.00
▸ BLM P54132 3/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ THPO P40225 2/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ GAA P10253 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30533406 0.87 MAPT (1.00) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL14506114 0.87 MAPT (1.00) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL13856913 0.87 MAPT (1.00) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL16450977 0.81 MAPT (0.87) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL7196936 0.78 MAPT (1.00) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL30176649 0.78 MAPT (1.00) MAPTTDP1KMT2AKDM4EHPGD
Isoppads SCHEMBL31722449 0.78 MAPT (0.86) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL3361090 0.77 KMT2A (1.00) MAPTTDP1KMT2AKDM4EHPGD
Water SCHEMBL30904755 0.77 MAPT (0.98) MAPTTDP1KMT2AKDM4EHPGD
SCHEMBL13961828 0.77 P2RY1 (0.74) MAPTTDP1KMT2AKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358663-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-10-31 — — US claimed
US-20220280513-A1 ENHANCING THE ANTIVIRAL EFFICACY OF RNA VIRUS INHIBITION BY COMBINATION WITH MODULATORS OF PYRIMIDINE METABOLISM THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-09-08 — — US claimed
US-12533425-B2 Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery ALUME BIOSCIENCES, INC. (US) 2026-01-27 — — US disclosed
US-20250367144-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME REMICINE IP B V (NL) 2025-12-04 — — US disclosed
US-12419848-B2 Treatment of hyperinflammatory syndrome Remicine IP B.V. (NL) 2025-09-23 — — US disclosed
EP-4582147-A2 TREATMENT OF HYPERINFLAMMATORY SYNDROME Remicine IP B.V. (NL) 2025-07-09 — — EP disclosed
US-20250163130-A1 LIGAND GATED ION CHANNELS AND METHODS OF USE SWITCH BIO, INC. 2025-05-22 — — US disclosed
EP-4125843-B1 TREATMENT OF HYPERINFLAMMATORY SYNDROME REMICINE IP B V (NL) 2025-05-21 — — EP disclosed
US-20250152742-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2025-05-15 — — US disclosed
EP-4484952-A2 OPTIMIZED PEPTIDES FOR TARGETING HUMAN NERVES AND THEIR USE IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY The Regents of the University of California (US) 2025-01-01 — — EP disclosed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 — — US disclosed
US-20220348635-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2022-11-03 — — US disclosed
US-20220280513-A1 ENHANCING THE ANTIVIRAL EFFICACY OF RNA VIRUS INHIBITION BY COMBINATION WITH MODULATORS OF PYRIMIDINE METABOLISM THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-09-08 — — US disclosed
EP-4041311-A1 METHODS AND SYSTEMS USING PEPTIDES FOR TARGETING AND MAPPING HUMAN NERVES IN IMAGE GUIDED SURGERY, DIAGNOSTICS AND THERAPEUTIC DELIVERY Alume Biosciences, Inc. (US) 2022-08-17 — — EP disclosed
US-11376269-B2 Pharmaceutical compositions for the treatment of chemoresistant acute myeloid leukemia (AML) INSERM (FR) 2022-07-05 — — US disclosed
WO-2022120177-A1 NERVE TARGETING PEPTIDES AND METHODS OF USE ALUME BIOSCIENCES, INC. (US) 2022-06-09 — — WO disclosed
US-11299515-B2 Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostics and therapeutic THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-12 — — US disclosed
EP-3744348-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INST NAT SANTE RECH MED (FR) 2022-03-23 — — EP disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 — — US disclosed
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2022-02-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240358663-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION VASP, MYLK, EDNRB THRB 3425/4885P2RY1 141/4885P2RY4 108/4885
US-20250152742-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 THRB 948/4885P2RY1 248/4885P2RY4 392/4885
US-12533425-B2 Methods and systems using peptides for targeting and mapping human nerves in image guided surgery, diagnostics and therapeutic delivery NGLY1, VGF, GAP43 THRB 3224/4885P2RY1 4333/4885P2RY4 3934/4885
US-20250163130-A1 LIGAND GATED ION CHANNELS AND METHODS OF USE CACNB2, CHRNA2, HCN3 THRB 548/4885P2RY1 227/4885P2RY4 221/4885
US-20220280513-A1 ENHANCING THE ANTIVIRAL EFFICACY OF RNA VIRUS INHIBITION BY COMBINATION WITH MODULATORS OF PYRIMIDINE METABOLISM EIF2AK2, RNGTT, RNMT THRB 3500/4885P2RY1 1501/4885P2RY4 1268/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 THRB 3286/4885P2RY1 240/4885P2RY4 478/4885
US-20220348635-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 THRB 948/4885P2RY1 248/4885P2RY4 392/4885
US-20220040095-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 THRB 3286/4885P2RY1 240/4885P2RY4 478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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