SCHEMBL4890381

SCHEMBL4890381

COc1ccc(Cl)cc1-c1nc(C(=O)NCc2cccc(F)c2)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PDE4B Q07343 3/20 0.45
PDE11A Q9HCR9 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL4888913 0.90 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL4892436 0.90 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL12339930 0.78 HCRTR1 (0.54) ALDH1A1MAPTHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL28336261 0.77 HDAC1 (0.55) ALDH1A1MAPTPDE4BADORA3ADORA2A
SCHEMBL4897286 0.76 MAOB (0.54) ALDH1A1HPGDROCK2PDE4BADORA3
SCHEMBL4901490 0.74 MAOB (0.53) ALDH1A1HPGDROCK2ROCK1PDE4B
SCHEMBL4894837 0.73 HSD17B10 (0.46) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL30989948 0.69 TP53 (0.55) HPGDROCK2ROCK1KMT2APDE10A
SCHEMBL30989952 0.69 TP53 (0.55) HPGDROCK2ROCK1KMT2APDE10A
SCHEMBL8360229 0.69 MMP13 (0.61) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US 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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 ALDH1A1 3961/4885KDM4E 2561/4885MAPT 3797/4885

“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.