SCHEMBL4886692

SCHEMBL4886692

O=C(NCc1cccc(O)c1)c1cnc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
GSK3B P49841 1/20 0.50
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 2/20 0.49
MMP13 P45452 2/20 0.45
PLA2G7 Q13093 1/20 0.45
MAOB P27338 2/20 0.43
LMNA P02545 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 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
SCHEMBL4896946 0.92 SRC (0.57) SRCGSK3BROCK2ROCK1MMP13
SCHEMBL4897159 0.91 ROCK2 (0.49) SRCROCK2ROCK1PLA2G7MAOB
SCHEMBL4899070 0.89 MAOB (0.51) SRCROCK2ROCK1MAOBTP53
SCHEMBL4897239 0.89 SRC (0.55) SRCGSK3BROCK2ROCK1MMP13
SCHEMBL4888626 0.88 MAOB (0.50) SRCROCK2ROCK1MMP13MAOB
SCHEMBL4890357 0.85 SRC (0.47) SRCROCK2ROCK1MMP13HTT
SCHEMBL4895983 0.83 SRC (0.50) SRCROCK2ROCK1MMP13MAOB
SCHEMBL4891551 0.83 SRC (0.50) SRCROCK2ROCK1MMP13LMNA
SCHEMBL4899454 0.82 SRC (0.56) SRCROCK2ROCK1MMP13MAOB
SCHEMBL4899116 0.81 SRC (0.48) SRCGSK3BROCK2ROCK1PLA2G7

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 SRC 334/4885GSK3B 853/4885ROCK2 1337/4885

“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.