SCHEMBL29702569

SCHEMBL29702569

O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.67

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
▸ P2RY6 known ✓ Q15077 1/20 0.41
▸ PDE4A known ✓ P27815 1/20 0.39
▸ PDE4B known ✓ Q07343 1/20 0.39
▸ PDE4D known ✓ Q08499 1/20 0.39
▸ PTGS1 known ✓ P23219 1/20 0.39
▸ PTGS2 known ✓ P35354 1/20 0.39
▸ RAD51 Q06609 9/20 0.67
▸ NT5E P21589 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ LTA P01374 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ P2RX3 P56373 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL9818822 0.94 RAD51 (0.58) RAD51NT5EALDH1A1CYP3A4MAPT
SCHEMBL455776 0.92 RAD51 (0.56) RAD51NT5EALDH1A1CYP3A4MAPT
SCHEMBL455775 0.92 RAD51 (0.56) RAD51NT5EALDH1A1CYP3A4MAPT
SCHEMBL670637 0.92 RAD51 (0.56) RAD51NT5EALDH1A1CYP3A4MAPT
SCHEMBL7744485 0.92 RAD51 (0.76) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL6815526 0.92 RAD51 (0.76) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL29356717 0.92 RAD51 (0.56) RAD51NT5EALDH1A1CYP3A4MAPT
SCHEMBL29405878 0.92 RAD51 (0.76) RAD51ALDH1A1CYP3A4KDM4EUSP2
SCHEMBL7555160 0.92 RAD51 (0.59) RAD51NT5EALDH1A1CYP3A4KDM4E
SCHEMBL31120742 0.92 RAD51 (0.59) RAD51NT5EALDH1A1CYP3A4KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260027220-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2026-01-29 — — US disclosed
EP-4525925-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF Novartis AG (CH) 2025-03-26 — — EP disclosed
EP-4525926-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF Novartis AG (CH) 2025-03-26 — — EP disclosed
WO-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 — — WO disclosed
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 — — WO disclosed
EP-4251209-A1 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF Novartis AG (CH) 2023-10-04 — — EP disclosed
WO-2022115477-A1 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2022-06-02 — — WO 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 (1 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-20260027220-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF EPHA2, EPHA1, EPHB1 P2RY6 1577/4885PDE4A 4274/4885PDE4B 4469/4885

“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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