SCHEMBL1040883

SCHEMBL1040883

CC(=O)Nc1cccc([C]=O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
RAB9A P51151 2/20 0.54
POLB P06746 2/20 0.54
NR4A1 P22736 1/20 0.54
TP53 P04637 1/20 0.54
NAPRT Q6XQN6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRM5 P41594 1/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
NQO2 P16083 1/20 0.49

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
SCHEMBL171190 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2RAB9AL3MBTL1
SCHEMBL30368222 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2RAB9AL3MBTL1
SCHEMBL474644 0.84 EGFR (0.61) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL21715154 0.84 GRM5 (0.58) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL31046593 0.84 EGFR (0.61) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL15612045 0.82 PTPN11 (0.71) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL10191902 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL10680071 0.82 MEN1 (0.55) ALDH1A1HSD17B10RAB9APOLBTP53
SCHEMBL1901172 0.82 ALDH1A1 (0.76) ALDH1A1HSD17B10CYP1A2RAB9APOLB
SCHEMBL7133734 0.81 MAPT (0.50) ALDH1A1HSD17B10KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1261098-C Inhibitors of p 38-alpha kinase SCIOS INC (US) 2006-06-28 CN claimed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US claimed
JP-2002523448-A 2002-07-30 JP claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
CN-1323209-A Use of piperidines and/or piperazines as inhibitors of p38-alpha kinase SCIOS INC (US) 2001-11-21 CN claimed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP claimed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO claimed
EP-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
EP-1915150-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-30 EP disclosed
WO-2007019914-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 WO disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 EP disclosed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US disclosed
EP-0167168-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1989-11-15 EP disclosed
US-4770990-A Silver halide photographic light-sensitive material containing a compound capable of imagewise releasing a photographically useful group during development FUJI PHOTO FILM CO., LTD. (JP) 1988-09-13 US disclosed
US-4740453-A Silver halide photosensitive material containing a compound capable of releasing a photographically useful group FUJI PHOTO FILM CO., LTD. (JP) 1988-04-26 US disclosed
EP-0198438-A2 Silver halide photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1986-10-22 EP disclosed
EP-0167168-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1986-01-08 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed
US-3931142-A Heterocyclic containing disazo compounds CIBA-GEIGY AG (CH) 1976-01-06 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-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 ALDH1A1 928/4885HSD17B10 2104/4885CYP1A2 199/4885
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PRKAR2A, PRKAR2B, PRKAB1 ALDH1A1 1575/4885HSD17B10 2858/4885CYP1A2 1196/4885

“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.