SCHEMBL4895983

SCHEMBL4895983

O=C(NCc1cccc(O)c1)c1cnc(-c2cccc(Cl)c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 1/20 0.47
MAPK1 P28482 4/20 0.47
MAPK10 P53779 2/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
NPC1 O15118 1/20 0.46
CNR2 P34972 1/20 0.45
HRH1 P35367 1/20 0.44
MT-CO2 P00403 1/20 0.43
MMP13 P45452 1/20 0.42
NUDT1 P36639 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 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
SCHEMBL4888988 0.93 LMNA (0.53) LMNAPOLBMAOBMAPK1MAPK10
SCHEMBL4897239 0.92 SRC (0.55) SRCLMNAPOLBROCK2ROCK1
SCHEMBL4891551 0.87 SRC (0.50) SRCLMNAROCK2ROCK1CNR2
SCHEMBL4896946 0.86 SRC (0.57) SRCMAOBROCK2ROCK1MT-CO2
SCHEMBL4889129 0.86 POLB (0.49) LMNAPOLBMAOBMAPK1MAPK10
SCHEMBL4897170 0.85 MAPT (0.59) LMNAMAPK1MAPK10ROCK2ROCK1
SCHEMBL4888626 0.85 MAOB (0.50) SRCMAOBMAPK1ROCK2ROCK1
SCHEMBL4899116 0.84 SRC (0.48) SRCMAOBROCK2ROCK1MT-CO2
SCHEMBL4886692 0.83 SRC (0.51) SRCLMNAPOLBMAOBROCK2
SCHEMBL4899454 0.81 SRC (0.56) SRCLMNAPOLBMAOBROCK2

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 334/4885LMNA 2269/4885POLB 4379/4885

“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.