SCHEMBL1435544

SCHEMBL1435544

Cc1[c]nc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
ALOX5 P09917 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SREBF2 Q12772 1/20 0.37
LMNA P02545 1/20 0.37
PDPK1 O15530 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1458794 0.82 KDM4E (0.43) SMN1; SMN2ALDH1A1POLBHPGDNPC1
SCHEMBL1436801 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1POLBADORA3NPSR1
SCHEMBL7229102 0.80 APP (0.42) SMN1; SMN2ALDH1A1ALOX5NPSR1GAA
SCHEMBL2088949 0.77 PDPK1 (0.38) SMN1; SMN2ALDH1A1POLBADORA3ADORA2A
SCHEMBL15287127 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBHPGDNPC1
SCHEMBL7220760 0.71 KDM4E (0.44) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL2103587 0.69 HPGD (0.54) SMN1; SMN2ALDH1A1NPSR1HPGDNPC1
SCHEMBL11904904 0.68 CYP1A2 (0.47) SMN1; SMN2ALDH1A1POLBNPSR1HPGD
SCHEMBL11904982 0.68 CYP1A2 (0.47) SMN1; SMN2ALDH1A1POLBNPSR1HPGD
SCHEMBL1671383 0.67 ALOX5 (0.40) SMN1; SMN2ALDH1A1POLBALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
US-8648206-B2 Light-activated actuator element KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2014-02-11 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
CN-102712634-A Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG 2012-10-03 CN disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
CN-1143639-A Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-02-26 CN disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP 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 (4 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E SMN1; SMN2 2800/4885ALDH1A1 1801/4885POLB 4868/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 SMN1; SMN2 2529/4885ALDH1A1 233/4885POLB 3835/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 1935/4885ALDH1A1 133/4885POLB 4075/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 2529/4885ALDH1A1 233/4885POLB 3835/4885

“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.