SCHEMBL5055475

SCHEMBL5055475

O=C([O-])c1ccccc1NC(=O)N1CCN(Cc2cccc3ccccc23)CC1.[Na+]

nearest known ligand 0.67

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
FAAH O00519 7/20 0.67
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 5/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.49
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL5055479 0.88 FAAH (0.71) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL5055253 0.81 KDM4E (0.58) KDM4EALDH1A1HSD17B10USP2LMNA
SCHEMBL3590361 0.80 FAAH (1.00) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL5056845 0.75 HCAR2 (0.80) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL16673587 0.74 FAAH (0.71) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL27979659 0.74 KDM4E (0.85) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL5060754 0.74 FAAH (0.53) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL5060733 0.71 FAAH (0.57) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL13926085 0.71 KDM4E (0.81) FAAHKDM4EALDH1A1HSD17B10USP2
SCHEMBL5062650 0.70 HCAR2 (0.52) FAAHKDM4EALDH1A1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139565-A1 Anthranilic Acid Derivatives and Their Use in Treatment of Diseases of Lipid Metabolism, in Particular Dyslipidaemia SMITHKLINE BEECHAM CORPORATION 2008-06-12 US claimed
US-20080139565-A1 Anthranilic Acid Derivatives and Their Use in Treatment of Diseases of Lipid Metabolism, in Particular Dyslipidaemia SMITHKLINE BEECHAM CORPORATION 2008-06-12 US disclosed
EP-1848707-A1 AWTHRANILIC ACID DERIVATIVES AND THEIR USE IN TREATMENT OF DISEASES OF LIPID METABOLISM, IN PARTICULAR DYSLIPIDAEMIA SMITHKLINE BEECHAM CORPORATION (US) 2007-10-31 EP disclosed
WO-2006085108-A1 AWTHRANILIC ACID DERIVATIVES AND THEIR USE IN TREATMENT OF DISEASES OF LIPID METABOLISM, IN PARTICULAR DYSLIPIDAEMIA SMITHKLINE BEECHAM CORPORATION (US) 2006-08-17 WO 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-20080139565-A1 Anthranilic Acid Derivatives and Their Use in Treatment of Diseases of Lipid Metabolism, in Particular Dyslipidaemia ANTXR2, CYP46A1, HCAR1 FAAH 361/4885KDM4E 3897/4885ALDH1A1 1540/4885

“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.