SCHEMBL8676972

SCHEMBL8676972

CCC(=O)Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
RIPK1 Q13546 2/20 0.46
MAPK1 P28482 1/20 0.46
VNN1 O95497 1/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAOB P27338 1/20 0.42
CXCL8 P10145 2/20 0.42
TAAR1 Q96RJ0 3/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4661911 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1VNN1RAB9ALMNA
SCHEMBL21100152 0.85 IAPP (0.46) ALDH1A1RAB9A
SCHEMBL8388641 0.85 RIPK1 (0.48) RIPK1VNN1CXCL8MEN1KMT2A
SCHEMBL8677157 0.85 VNN1 (0.50) ALDH1A1RIPK1MAPK1VNN1RAB9A
SCHEMBL28005176 0.83 IAPP (0.47) ALDH1A1RIPK1MAPK1CXCL8
SCHEMBL1538027 0.82 VNN1 (0.48) ALDH1A1RIPK1MAPK1VNN1RAB9A
Bicarbonate SCHEMBL28309385 0.81 ALDH1A1 (0.51) ALDH1A1RIPK1MAPK1RAB9ALMNA
SCHEMBL29210932 0.81 GABRA1 (0.44) ALDH1A1RAB9A
SCHEMBL2206253 0.81 ALDH1A1 (0.48) ALDH1A1RIPK1MAPK1VNN1RAB9A
SCHEMBL27524951 0.81 TDP1 (0.50) ALDH1A1RIPK1RAB9A

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
CN-104326919-B Phenyl butanone of 5 nitro of compound 2 hydroxyl, 3 fluorine 1 and preparation method thereof and agricultural biological activity 青岛农业大学 2018-01-02 CN claimed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
CN-114874061-A Preparation method of prasugrel intermediate and analogue thereof 中国人民解放军海军军医大学 2022-08-09 CN disclosed
CN-104326919-B Phenyl butanone of 5 nitro of compound 2 hydroxyl, 3 fluorine 1 and preparation method thereof and agricultural biological activity 青岛农业大学 2018-01-02 CN disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
CN-1107502-C Preparation method for medicinal composition containing hydrogenated pyridine derivative as active components SANKYO CO (JP) 2003-05-07 CN disclosed
CN-1217186-A Preparation method for medicinal composition containing hydrogenated pyridine derivative as active components SANKYO CO (JP) 1999-05-26 CN disclosed
CN-1041730-C Process for preparing hydrogenated pyridine derivatives SANKYO CO (JP) 1999-01-20 CN disclosed
EP-0542411-B1 TETRAHYDROTHIENOPYRIDINE DERIVATIVES, FURO AND PYRROLO ANALOGS THEREOF AND THEIR PREPARATION AND USES FOR INHIBITING BLOOD PLATELET AGGREGATION SANKYO CO (JP) 1998-08-12 EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
CN-1074446-A Hydroxypyridine Derivatives SANKYO CO (JP) 1993-07-21 CN disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 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 (1 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ALDH1A1 982/4885RIPK1 4224/4885MAPK1 344/4885

“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.