SCHEMBL155144

SCHEMBL155144

[C]1CNc2ccccc2S1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.38
NOX1 Q9Y5S8 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
ALOX12 P18054 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL2828423 0.81 GAA (0.52) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL6630243 0.68 BRD4 (0.47) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL9834308 0.68 MEN1 (0.39) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL832046 0.67 RYR2 (0.53) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL12160120 0.67 GAA (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL88911 0.67 GAA (0.96) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL29364653 0.67 GAA (0.96) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3556450 0.67 GAA (0.96) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL19400 0.65
SCHEMBL582683 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
US-8058307-B2 Alcanoic acid amides substituted by saturated O-heterocycles NOVARTIS AG (CH) 2011-11-15 US claimed
JP-4764833-B2 2011-09-07 JP claimed
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP claimed
US-20110009399-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-01-13 US claimed
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES NOVARTIS AG 2010-10-07 US claimed
EP-2231677-A2 TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-09-29 EP claimed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US claimed
EP-2212315-A1 TRISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 EP claimed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US claimed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP claimed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO claimed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP claimed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP claimed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP claimed
EP-0120589-B1 IMIDAZO-HETEROCYCLIC COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP claimed
US-4621084-A CARDIOTONIC, ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-04 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-0120589-A1 Imidazo-heterocyclic compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 EP claimed

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-20110009399-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 GAA 301/4885MEN1 1714/4885KMT2A 3172/4885
US-20100256146-A1 TRISUBSTITUTED PIPERIDINES REN, AGTR1, AGTR2 GAA 522/4885MEN1 2757/4885KMT2A 3672/4885

“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.