SCHEMBL1316092

SCHEMBL1316092

O=C(Nc1cc(-c2ccccc2O)ccc1C(=O)[O-])c1cncc(-c2ccccc2)c1.[Na+]

nearest known ligand 0.48

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 14)

geneUniProtsupporting neighboursconfidence
XDH known ✓ P47989 2/20 0.42
SCN2A known ✓ Q99250 1/20 0.40
SCN10A known ✓ Q9Y5Y9 1/20 0.40
HDAC1 Q13547 7/20 0.48
SERPINE1 P05121 4/20 0.46
HDAC2 Q92769 2/20 0.44
KDM1A O60341 2/20 0.44
HDAC3 O15379 1/20 0.43
ACLY P53396 1/20 0.42
KAT6A Q92794 1/20 0.42
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL12118197 0.90 ACLY (0.53) HDAC1SERPINE1HDAC2KDM1AHDAC3
SCHEMBL1316095 0.89 ACLY (0.52) HDAC1SERPINE1HDAC2KDM1AHDAC3
SCHEMBL1317198 0.89 CCNC (0.48) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1317188 0.89 KAT6A (0.47) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1318039 0.86 HDAC1 (0.49) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1317261 0.86 CTSA (0.46) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1316858 0.86 HDAC1 (0.54) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1317525 0.85 CCNC (0.44) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1316587 0.85 XDH (0.44) HDAC1SERPINE1HDAC2HDAC3ACLY
SCHEMBL1317056 0.85 HDAC1 (0.58) HDAC1HDAC2HDAC3ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492582-B2 N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-07-23 US disclosed
US-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-10 US disclosed
EP-2385036-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2011-11-09 EP 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-20110275797-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF COL14A1, COL2A1, COL1A1 XDH 14/4885SCN2A 894/4885SCN10A 820/4885

“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.