SCHEMBL4889129

SCHEMBL4889129

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPK1 P28482 2/20 0.44
MAPK10 P53779 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOB P27338 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
TP53 P04637 1/20 0.42
MAPK3 P27361 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 0.92 LMNA (0.53) POLBLMNANPC1CNR2HDAC3
SCHEMBL4891551 0.88 SRC (0.50) LMNACNR2HDAC1HRH1HRH4
SCHEMBL4895983 0.86 SRC (0.50) POLBLMNANPC1CNR2MAPK1
SCHEMBL4899389 0.85 LMNA (0.60) LMNATHRBROCK2ROCK1TP53
SCHEMBL4897170 0.82 MAPT (0.59) LMNAMAPK1MAPK10THRBROCK2
SCHEMBL4897239 0.80 SRC (0.55) POLBLMNAHDAC1ROCK2ROCK1
SCHEMBL4890315 0.79 MAPK1 (0.52) POLBLMNANPC1CNR2MAPK1
SCHEMBL4888626 0.75 MAOB (0.50) MAPK1MAOBROCK2ROCK1TP53
SCHEMBL4899116 0.74 SRC (0.48) HDAC1HDAC6MAOBROCK2ROCK1
SCHEMBL4896946 0.74 SRC (0.57) MAOBROCK2ROCK1

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 POLB 4379/4885LMNA 2269/4885NPC1 4026/4885

“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.