SCHEMBL1315950

SCHEMBL1315950

O=C(Nc1cc(-c2cncc3ccccc23)ccc1C(=O)[O-])c1cncc(-c2ccccc2)c1.[Na+]

nearest known ligand 0.65

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
▸ SCN2A known ✓ Q99250 1/20 0.41
▸ SCN10A known ✓ Q9Y5Y9 1/20 0.41
▸ SERPINE1 P05121 5/20 0.65
▸ MMP9 P14780 2/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ ABL1 P00519 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ ACLY P53396 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL1317959 0.91 SERPINE1 (0.55) SERPINE1MMP9MMP1ABL1CSF1R
SCHEMBL1315953 0.90 SERPINE1 (0.54) SERPINE1MMP9MMP1ABL1CSF1R
SCHEMBL1316092 0.85 HDAC1 (0.48) SERPINE1HDAC1SCN2ASCN10AHDAC3
SCHEMBL1320007 0.84 SERPINE1 (0.49) SERPINE1MMP9MMP1ABL1CSF1R
SCHEMBL1317188 0.84 KAT6A (0.47) SERPINE1HDAC1SCN10AHDAC3HDAC2
SCHEMBL1317198 0.84 CCNC (0.48) SERPINE1HDAC1SCN2ASCN10AHDAC3
SCHEMBL1316858 0.83 HDAC1 (0.54) SERPINE1HDAC1HDAC3HDAC2ACLY
SCHEMBL1317056 0.83 HDAC1 (0.58) ABL1HDAC1HDAC3HDAC2ACLY
SCHEMBL1318039 0.82 HDAC1 (0.49) SERPINE1HDAC1HDAC3HDAC2ACLY
SCHEMBL1317261 0.82 CTSA (0.46) SERPINE1ABL1HDAC1SCN10AHDAC3

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 820/4885SERPINE1 470/4885

“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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