SCHEMBL324719

SCHEMBL324719

Cc1cc(-c2ncc(C(=O)O)s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
GSK3B P49841 1/20 0.44
PIK3CB P42338 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
WNT3A P56704 6/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL28655612 0.82 GABRP (0.47) CDC7DBF4HCAR2NPC1RAB9A
SCHEMBL3593476 0.79 CDC7 (0.63) CDC7DBF4HCAR2NPC1RAB9A
SCHEMBL23794763 0.79 HSD17B1 (0.57) HCAR2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL28655527 0.78 MYC (0.48) CDC7DBF4HCAR2NPC1RAB9A
SCHEMBL20894394 0.78 HCAR2 (0.51) CDC7DBF4HCAR2NPC1RAB9A
SCHEMBL4283912 0.78 HCAR2 (0.55) CDC7DBF4HCAR2NPC1RAB9A
SCHEMBL10054038 0.77 DYRK1A (0.43) PIK3CBWNT3ACCNCCDK8
SCHEMBL16896526 0.77 KDM4E (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL29505288 0.77 KDM4E (0.56) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL12571425 0.76 NPC1 (0.47) CDC7DBF4HCAR2NPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10460879-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2019-10-29 US disclosed
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 EP disclosed
EP-2922137-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM Corporation (JP) 2015-09-23 EP disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-8697911-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US disclosed
EP-2590950-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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 (3 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-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL CHRM1, L1CAM, CRY1 CDC7 1519/4885DBF4 2452/4885HCAR2 4508/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA CDC7 567/4885DBF4 4324/4885HCAR2 2002/4885
US-10460879-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell CHRM1, L1CAM, CRY1 CDC7 1398/4885DBF4 2299/4885HCAR2 4436/4885

“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.