SCHEMBL1390359

SCHEMBL1390359

Cc1cc(C(C[C@@H](c2ccc(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)cc2)c2ccccc2C)=NO)ccn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.77
▸ ROCK1 Q13464 8/20 0.48
▸ ROCK2 O75116 7/20 0.48
▸ PRKACA P17612 3/20 0.48
▸ PRKG1 Q13976 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RPS6KB1 P23443 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ PRKX P51817 2/20 0.48
▸ PRKCD Q05655 2/20 0.48
▸ PRKG2 Q13237 2/20 0.48
▸ PKN2 Q16513 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ SGK2 Q9HBY8 2/20 0.48
▸ AKT1 P31749 2/20 0.48
▸ RPS6KA5 O75582 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ CDK1 P06493 1/20 0.48

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
SCHEMBL10241002 1.00 GPBAR1 (0.77) GPBAR1ROCK1ROCK2PRKACAPRKG1
SCHEMBL10240995 0.91 GPBAR1 (0.77) GPBAR1ROCK1ROCK2PRKACAPRKG1
SCHEMBL1390099 0.91 GPBAR1 (0.77) GPBAR1ROCK1ROCK2PRKACAPRKG1
SCHEMBL362477 0.91 GPBAR1 (0.77) GPBAR1ROCK1ROCK2PRKACAPRKG1
SCHEMBL1390098 0.91 GPBAR1 (0.77) GPBAR1ROCK1ROCK2PRKACAPRKG1
SCHEMBL1390103 0.89 GPBAR1 (0.60) GPBAR1ROCK1ROCK2PRKACAPRKG1
SCHEMBL15949185 0.88 GPBAR1 (0.70) GPBAR1ROCK1ROCK2MEN1KMT2A
SCHEMBL364196 0.87 GPBAR1 (1.00) GPBAR1CTSA
SCHEMBL362606 0.87 GPBAR1 (1.00) GPBAR1CTSA
SCHEMBL364261 0.87 GPBAR1 (1.00) GPBAR1CTSA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885ROCK1 3390/4885ROCK2 4404/4885

“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.

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