SCHEMBL2866121

SCHEMBL2866121

Cc1cc(N=Nc2ccc(Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)[O-])cc2)ccc1OS(=O)(=O)c1ccccc1.[Na+]

nearest known ligand 0.41

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
▸ P2RY12 known ✓ Q9H244 1/20 0.38
▸ TBXA2R P21731 4/20 0.41
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CTSV O60911 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ NT5E P21589 1/20 0.38
▸ GFER P55789 1/20 0.37
▸ GPR17 Q13304 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL30017863 0.86 TBXA2R (0.39) TBXA2RMAPTMEN1KMT2AALDH1A1
SCHEMBL2859976 0.86 TBXA2R (0.39) TBXA2RMAPTMEN1KMT2AALDH1A1
SCHEMBL14356611 0.77 NT5E (0.47) TBXA2RHPGDL3MBTL1MAPTMEN1
SCHEMBL29892362 0.75 ALDH1A1 (0.44) TBXA2RHPGDL3MBTL1MAPTMEN1
SCHEMBL30371755 0.74 ALDH1A1 (0.39) TBXA2RHPGDL3MBTL1MAPTMEN1
SCHEMBL14341701 0.70 TBXA2R (0.37) TBXA2RHPGDL3MBTL1MAPTMEN1
SCHEMBL30671953 0.70 APEX1 (0.46) TBXA2RHPGDL3MBTL1MAPTMEN1
SCHEMBL141079 0.69 MAPT (0.57) HPGDL3MBTL1MAPTMEN1KMT2A
SCHEMBL29357322 0.69 MAPT (0.57) HPGDL3MBTL1MAPTMEN1KMT2A
SCHEMBL9394640 0.68 MAPT (0.48) TBXA2RHPGDL3MBTL1MAPTMEN1

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-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 — — US disclosed
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 — — US disclosed
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 — — US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 — — US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 — — US disclosed
US-20070154621-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-07-05 — — US disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 — — 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 (2 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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 P2RY12 2658/4885TBXA2R 2638/4885HPGD 1160/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 P2RY12 2658/4885TBXA2R 2638/4885HPGD 1160/4885

“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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