SCHEMBL7048161

SCHEMBL7048161

COc1ccc(C(=O)NC(C(=O)c2ccncc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ GAA P10253 2/20 0.54
▸ ROCK2 O75116 6/20 0.52
▸ ROCK1 Q13464 6/20 0.52
▸ PRKG1 Q13976 4/20 0.52
▸ MAPK1 P28482 4/20 0.52
▸ RPS6KA5 O75582 3/20 0.52
▸ CDK1 P06493 3/20 0.52
▸ PRKACA P17612 3/20 0.52
▸ RPS6KB1 P23443 3/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ GSK3A P49840 3/20 0.52
▸ GSK3B P49841 3/20 0.52
▸ PRKCD Q05655 3/20 0.52
▸ PRKG2 Q13237 3/20 0.52
▸ PKN2 Q16513 3/20 0.52
▸ CDC42BPA Q5VT25 3/20 0.52
▸ CLK4 Q9HAZ1 3/20 0.52
▸ SGK2 Q9HBY8 3/20 0.52

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
SCHEMBL7045241 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4ROCK2ROCK1PRKG1
SCHEMBL7047478 0.83 SLC6A9 (0.56) ALDH1A1GAAROCK2ROCK1PRKG1
SCHEMBL4978454 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4ROCK2ROCK1PRKG1
SCHEMBL12087551 0.79 CYP1A2 (0.49) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL6707539 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4ROCK2ROCK1PRKG1
SCHEMBL4978745 0.78 SLC6A9 (0.56) ALDH1A1CYP3A4GAAROCK2ROCK1
SCHEMBL14595547 0.78 LMNA (0.56) ALDH1A1CYP3A4S1PR3KMT2ANPC1
SCHEMBL12217089 0.78 SMN1; SMN2 (0.43) CYP3A4GAAROCK2ROCK1PRKG1
SCHEMBL28476592 0.77 ALDH1A1 (0.86) ALDH1A1CYP3A4GAAMEN1KMT2A
SCHEMBL6222897 0.76 KMT2A (0.82) ALDH1A1CYP3A4GAAMAPK1CYP2C9

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-20030083503-A1 Synthesis of acylated keto amides from sulfonyl amides FRANTZ DOUG E (US) 2003-05-01 — — 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-20030083503-A1 Synthesis of acylated keto amides from sulfonyl amides AADAC, ACAA2, ACSS2 ALDH1A1 512/4885CYP3A4 1159/4885GAA 755/4885

“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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