SCHEMBL1317261

SCHEMBL1317261

O=C(Nc1cc(-c2ccccc2C(F)(F)F)ccc1C(=O)[O-])c1cncc(-c2ccccc2)c1.[Na+]

nearest known ligand 0.46

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 15)

geneUniProtsupporting neighboursconfidence
SCN5A known ✓ Q14524 2/20 0.42
SCN9A known ✓ Q15858 2/20 0.42
SCN10A known ✓ Q9Y5Y9 2/20 0.39
CTSA P10619 1/20 0.46
ACLY P53396 2/20 0.43
SERPINE1 P05121 3/20 0.43
NTRK1 P04629 2/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
ABL1 P00519 1/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
KAT6A Q92794 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1317262 0.90 ACLY (0.52) CTSAACLYSERPINE1SCN5ASCN9A
SCHEMBL1317188 0.87 KAT6A (0.47) CTSAACLYSERPINE1HDAC1HDAC2
SCHEMBL1316092 0.86 HDAC1 (0.48) ACLYSERPINE1HDAC1HDAC2HDAC3
SCHEMBL1316610 0.86 SCN10A (0.48) SERPINE1NTRK1SCN10AABL1OPRM1
SCHEMBL1316874 0.85 RXFP1 (0.51) ACLYSERPINE1NTRK1HDAC1HDAC2
SCHEMBL1317198 0.85 CCNC (0.48) CTSAACLYSERPINE1HDAC1HDAC2
SCHEMBL1316858 0.83 HDAC1 (0.54) ACLYSERPINE1HDAC1HDAC2HDAC3
SCHEMBL1317525 0.82 CCNC (0.44) CTSAACLYSERPINE1HDAC1HDAC2
SCHEMBL1316587 0.82 XDH (0.44) CTSAACLYSERPINE1HDAC1HDAC2
SCHEMBL1317056 0.82 HDAC1 (0.58) ACLYNTRK1HDAC1HDAC2HDAC3

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 SCN5A 1084/4885SCN9A 1308/4885SCN10A 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.