SCHEMBL600482

SCHEMBL600482

Cc1c(C(=O)O)cnc(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
KDM4E B2RXH2 8/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.41

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
SCHEMBL1503171 0.83 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10465814 0.81 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7788149 0.80 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30968742 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1819716 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28276724 0.75 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13313461 0.72 HPGD (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1769880 0.72 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20765628 0.72 NNMT (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19857487 0.72 KDM4E (0.60) KDM4EALDH1A1L3MBTL1CYP3A4MAPT

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352629-B1 Use of a pyridine-dicarboxylic acid derivative or a salt thereof to stimulate or induce keratinic fiber growth and/or to prevent its loss OREAL (FR) 2011-06-22 EP claimed
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS L'OREAL 2009-08-27 US claimed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
EP-3162802-B1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME NIHON MEDIPHYSICS CO LTD (JP) 2020-08-19 EP disclosed
US-10358434-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicament containing same NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-07-23 US disclosed
US-20190169169-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICAMENT CONTAINING SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-06-06 US disclosed
US-10189815-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicine containing same NIHON MEDI-PHYSICS CO., LTD. (JP) 2019-01-29 US disclosed
US-9809586-B2 Inhibitors of collagen prolyl 4-hydroxylase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-20170158668-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-06-08 US disclosed
EP-3162802-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME Nihon Medi-Physics Co., Ltd. (JP) 2017-05-03 EP disclosed
WO-2016160706-A1 INHIBITORS OF COLLAGEN PROLYL 4-HYDROXYLASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-10-06 WO disclosed
US-5780676-A BICYCLIC BENZYL, PYRIDINYL, THIOPHENE, FURANYL, PYRROLE, AND POLYENOIC ACID DERIVATIVES LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
EP-0678087-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0678086-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0637297-A4 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS. LIGAND PHARM INC (US) 1995-09-20 EP disclosed
WO-1995004036-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1995-02-09 WO disclosed
EP-0637297-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1994015902-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1993021146-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 1993-10-28 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 (5 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-20190169169-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICAMENT CONTAINING SAME XDH, CYP11B2, GOT2 GABRP 1933/4885GABRD 2436/4885GABRA1 1671/4885
US-20170158668-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME XDH, REN, BRD4 GABRP 1912/4885GABRD 2919/4885GABRA1 1279/4885
US-10358434-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicament containing same XDH, CYP11B2, GOT2 GABRP 1933/4885GABRD 2436/4885GABRA1 1671/4885
US-10189815-B2 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicine containing same XDH, REN, BRD4 GABRP 1912/4885GABRD 2919/4885GABRA1 1279/4885
US-20090215837-A1 ADMINISTRATION OF PYRIDINEDICARBOXYLIC ACID COMPOUNDS FOR STIMULATING OR INDUCING THE GROWTH OF HUMAN KERATINOUS FIBERS AND/OR ARRESTING THEIR LOSS AKR1C3, MC1R, KRT18 GABRP 1811/4885GABRD 568/4885GABRA1 977/4885

“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.