SCHEMBL1316100

SCHEMBL1316100

O=C(Nc1cc(-c2ccccc2NCc2ccccc2)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 18)

geneUniProtsupporting neighboursconfidence
SCN2A known ✓ Q99250 1/20 0.48
SCN10A known ✓ Q9Y5Y9 1/20 0.48
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
HDAC1 Q13547 8/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5B Q9UGL1 1/20 0.43
ADRA2C P18825 1/20 0.43
HDAC3 O15379 1/20 0.42
SERPINE1 P05121 3/20 0.42
SCD O00767 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HDAC2 Q92769 1/20 0.39

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
SCHEMBL13206563 0.92 KDM4C (0.53) SCN2ASCN10ACDC7ROCK2MAP4K4
SCHEMBL1316101 0.91 KDM4C (0.52) SCN2ASCN10ACDC7ROCK2MAP4K4
SCHEMBL1317525 0.90 CCNC (0.44) SCN2ASCN10AMKNK2HDAC1HDAC3
SCHEMBL1318141 0.85 HDAC1 (0.45) SCN2ASCN10ACDC7ROCK2MAP4K4
SCHEMBL1316092 0.84 HDAC1 (0.48) SCN2ASCN10AHDAC1HDAC3SERPINE1
SCHEMBL1316587 0.84 XDH (0.44) SCN2ASCN10AHDAC1HDAC3SERPINE1
SCHEMBL1317198 0.84 CCNC (0.48) SCN2ASCN10AHDAC1HDAC3SERPINE1
SCHEMBL1317188 0.84 KAT6A (0.47) SCN10AHDAC1HDAC3SERPINE1CCNC
SCHEMBL1317261 0.81 CTSA (0.46) SCN10AHDAC1HDAC3SERPINE1HDAC2
SCHEMBL1316858 0.81 HDAC1 (0.54) CDC7ROCK2MAP4K4GSK3BCLK4

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 SCN2A 894/4885SCN10A 820/4885CDC7 4799/4885

“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.