SCHEMBL4888913

SCHEMBL4888913

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 1/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APEX1 P27695 1/20 0.43
NOD2 Q9HC29 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
THRB P10828 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
ALOX15 P16050 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
SCHEMBL4892436 0.91 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL4890381 0.90 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL4894837 0.81 HSD17B10 (0.46) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL4898393 0.81 HSD17B10 (0.46) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL12339930 0.79 HCRTR1 (0.54) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL4901507 0.77 HDAC1 (0.52) ALDH1A1HPGDROCK2ROCK1PDE4B
SCHEMBL4899463 0.76 ROCK2 (0.52) ROCK2ROCK1PDE4B
SCHEMBL4896516 0.73 MAOB (0.54) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4894485 0.71 DGAT2 (0.49)
SCHEMBL4901490 0.71 MAOB (0.53) ALDH1A1HPGDROCK2ROCK1KMT2A

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 KDM4E 2561/4885HSD17B10 729/4885ALDH1A1 3961/4885

“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.