SCHEMBL4895437

SCHEMBL4895437

COc1ccccc1CNC(=O)c1cnc(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
POLB P06746 2/20 0.52
MAOB P27338 1/20 0.52
HPGD P15428 3/20 0.51
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 2/20 0.51
DGAT2 Q96PD7 1/20 0.51
HDAC1 Q13547 1/20 0.48
MTOR P42345 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RCE1 Q9Y256 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4899110 0.79 HDAC1 (0.44) MAOBROCK2DGAT2HDAC1KDM4E
SCHEMBL4896946 0.75 SRC (0.57) MAOBROCK2ROCK1DGAT2MTOR
SCHEMBL4899070 0.72 MAOB (0.51) MAOBROCK2ROCK1
SCHEMBL4895576 0.72 MEN1 (0.55) HTTPOLBMAOBHPGDDGAT2
SCHEMBL4899116 0.70 SRC (0.48) MAOBROCK2ROCK1DGAT2HDAC1
SCHEMBL4886692 0.70 SRC (0.51) HTTPOLBMAOBROCK2ROCK1
SCHEMBL6661461 0.70 ROCK2 (0.59) HTTPOLBHPGDROCK2ROCK1
SCHEMBL4890357 0.69 SRC (0.47) HTTPOLBROCK2ROCK1DGAT2
SCHEMBL4889553 0.69 DEGS1 (0.49) ROCK1HDAC1
SCHEMBL6848785 0.69 HTT (0.83) HTTPOLBHPGDHDAC1ALDH1A1

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 HTT 2077/4885POLB 4379/4885MAOB 4611/4885

“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.