SCHEMBL12365262

SCHEMBL12365262

COC(=O)c1ccc2c(c1)C(c1cc(C#N)ccc1C)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ MAPK14 Q16539 3/20 0.37
▸ PLAU P00749 1/20 0.37
▸ FASN P49327 5/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34

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
SCHEMBL12365090 0.91 NAMPT (0.43) NAMPTMRGPRX4MAPK14PLAUCYP11B1
SCHEMBL12389598 0.88 NAMPT (0.43) NAMPTMRGPRX4PLAUCYP11B1CYP11B2
SCHEMBL12365877 0.88 NAMPT (0.43) NAMPTMRGPRX4MAPK14PLAUCYP11B1
SCHEMBL12365263 0.88 RARA (0.41) MRGPRX4MAPK14FASNALDH1A1SRD5A1
SCHEMBL12389033 0.86 NAMPT (0.43) NAMPTMRGPRX4PLAUCYP11B1CYP11B2
SCHEMBL12365024 0.85 RARA (0.43) NAMPTMRGPRX4MAPK14PLAUCYP11B1
SCHEMBL12389147 0.85 TDP1 (0.42) MAPK14ALDH1A1
SCHEMBL12365271 0.83 MAPK14 (0.46) MAPK14ALDH1A1
SCHEMBL12365758 0.83 MEN1 (0.40) MAPK14PLAUALDH1A1
SCHEMBL12390194 0.83 PLAU (0.43) NAMPTMRGPRX4MAPK14PLAUCYP11B1

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NAMPT 2562/4885MRGPRX4 2358/4885MAPK14 3304/4885

“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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