SCHEMBL5055253

SCHEMBL5055253

O=C([O-])c1ccccc1NC(=O)N1CCN(c2cccc3ccccc23)CC1.[Na+]

nearest known ligand 0.58

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 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
HSD17B10 Q99714 6/20 0.58
ALDH1A1 P00352 5/20 0.58
POLB P06746 3/20 0.58
KMT2A Q03164 2/20 0.55
HCAR2 Q8TDS4 5/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.49
USP2 O75604 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
TRPV1 Q8NER1 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL5055254 0.87 HCAR2 (0.67) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5056845 0.82 HCAR2 (0.80) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5055475 0.81 FAAH (0.67) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5062650 0.81 HCAR2 (0.52) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL27979659 0.77 KDM4E (0.85) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL6960999 0.74 KDM4E (0.52) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5060746 0.74 MAPT (0.56) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5055275 0.73 MAPT (0.67) HSD17B10ALDH1A1POLBKMT2AHCAR2
SCHEMBL6965687 0.73 RBP4 (0.57) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL5234760 0.72 USP2 (0.56) KDM4EHSD17B10ALDH1A1POLBTSHR

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 KDM4E 3897/4885HSD17B10 280/4885ALDH1A1 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.