SCHEMBL4899463

SCHEMBL4899463

O=C(NCc1cccc(O)c1)c1coc(-c2ccc(O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
SRC P12931 1/20 0.48
HDAC1 Q13547 8/20 0.48
HDAC8 Q9BY41 8/20 0.48
HDAC6 Q9UBN7 8/20 0.48
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 1/20 0.46
MAOB P27338 3/20 0.46
PDE4B Q07343 3/20 0.46
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL4901507 0.92 HDAC1 (0.52) ROCK2ROCK1SRCHDAC1HDAC8
SCHEMBL4897286 0.91 MAOB (0.54) ROCK2SRCHDAC1HDAC8HDAC6
SCHEMBL4889137 0.88 HSD17B1 (0.52) HDAC1HDAC8HDAC6HSD17B1HSD17B2
SCHEMBL4901490 0.86 MAOB (0.53) ROCK2ROCK1SRCHDAC1HDAC8
SCHEMBL4890398 0.83 PDE4B (0.48) HDAC1HDAC8HDAC6HSD17B1HSD17B2
SCHEMBL4894485 0.82 DGAT2 (0.49) HDAC1HDAC8HDAC6MAOB
SCHEMBL4897133 0.82 ROCK2 (0.42) ROCK2ROCK1SRCHDAC1HDAC8
SCHEMBL4891848 0.82 CDC7 (0.45) ROCK2ROCK1SRC
Hydrochloric Acid SCHEMBL28336261 0.80 HDAC1 (0.55) SRCHDAC1HDAC8HDAC6MAOB
SCHEMBL12902828 0.79 MAOB (0.48) HDAC1HDAC8HDAC6MAOB

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 ROCK2 1337/4885ROCK1 796/4885SRC 334/4885

“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.