SCHEMBL4612503

SCHEMBL4612503

[c]1ccc(Sc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.70
NOS1 P29475 1/20 0.70
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.35
ROCK2 O75116 1/20 0.33
PDPK1 O15530 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE7A Q13946 3/20 0.33
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33

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
SCHEMBL144087 0.84 DDAH1 (1.00) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL1712836 0.84 NR1H2 (0.40) DDAH1NOS1LMNACYP3A4TSHR
SCHEMBL38690 0.76 MAPT (0.65) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL7954383 0.74 DDAH1 (0.48) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL9958669 0.74 MAPT (0.61) DDAH1NOS1LMNAMAPTCYP2D6
SCHEMBL237662 0.74 MAOA (0.50) MAPTALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL7354050 0.74 DDAH1 (0.78) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL13837350 0.72 NR1H2 (0.38) DDAH1NOS1MEN1KMT2ALMNA
SCHEMBL5023998 0.72 MAOA (0.54) MAPTALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL177955 0.70 TSHR (0.70) DDAH1NOS1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 US claimed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
EP-1446115-A4 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-02-02 EP claimed
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA LTD. (CA) 2005-01-20 US claimed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 EP claimed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 WO claimed
US-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 US disclosed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
EP-1446115-A4 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-02-02 EP disclosed
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
CN-1219927-A Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 1999-06-16 CN disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP 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
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 (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-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 DDAH1 1328/4885NOS1 1270/4885MEN1 1023/4885
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors CTSB, CTSK, CTSS DDAH1 1159/4885NOS1 2888/4885MEN1 4489/4885

“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.