SCHEMBL4429929

SCHEMBL4429929

Cc1nc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
SMN1; SMN2 Q16637 5/20 0.77
RXFP1 Q9HBX9 1/20 0.73
RAB9A P51151 3/20 0.69
KDM4E B2RXH2 6/20 0.62
HPGD P15428 1/20 0.62
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55

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
SCHEMBL27261450 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL2765423 0.84 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL4412318 0.84 SMN1; SMN2 (0.76) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL4427419 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL28330529 0.82 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL1550372 0.80 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL4434197 0.80 MDM2 (0.67) ALDH1A1SMN1; SMN2RAB9AKDM4EHPGD
SCHEMBL1542696 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2RXFP1RAB9AHPGD
SCHEMBL19645881 0.80 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E
SCHEMBL2810983 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2RXFP1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-1480954-B1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-12-03 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
CN-1024317-C Antifungal agents based on amides containing phenyl group RHONE POULENC AGROCHIMIE (FR) 1994-04-27 CN disclosed
CN-1040792-A ANTIFUNGAL AGENTS BASED ON AMIDES CONTAINING PHENYL GROUP RHONE POULENC AGROCHIMIE (FR) 1990-03-28 CN disclosed
US-4117135-A NOVEL 5,6,7,8-TETRAHYDRO-5-QUINOLINES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING, A.G. 1978-09-26 US 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 (2 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 ALDH1A1 2107/4885SMN1; SMN2 3167/4885RXFP1 181/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ALDH1A1 787/4885SMN1; SMN2 222/4885RXFP1 270/4885

“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.