SCHEMBL12365281

SCHEMBL12365281

COC(=O)c1ccc2c(c1)C(c1ccc(C#N)cc1)=CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 2/20 0.42
▸ RARB P10826 2/20 0.42
▸ RARG P13631 2/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.40
▸ PLAU P00749 1/20 0.39
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAP4K4 O95819 2/20 0.36
▸ MINK1 Q8N4C8 2/20 0.36
▸ TNIK Q9UKE5 2/20 0.36
▸ XDH P47989 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL12365024 0.93 RARA (0.43) RARARARBRARGNAMPTEGLN2
SCHEMBL12365282 0.86 RARA (0.50) RARARARBRARGMAP4K4XDH
SCHEMBL12365278 0.85 PTGS2 (0.45) RARARARBRARGALDH1A1L3MBTL1
SCHEMBL12390194 0.81 PLAU (0.43) NAMPTPLAUCYP11B1CYP11B2MRGPRX4
SCHEMBL12366958 0.81 HTR2B (0.40) RARARARBRARGPLAUMAP4K4
SCHEMBL12365676 0.79 PTPRC (0.36) RARARARBRARG
SCHEMBL12365090 0.79 NAMPT (0.43) NAMPTEGLN2PLAUCYP11B1CYP11B2
SCHEMBL12365283 0.79 TP53 (0.39) RARARARBRARGNAMPTEGLN2
SCHEMBL12365262 0.79 NAMPT (0.43) NAMPTPLAUCYP11B1CYP11B2MRGPRX4
SCHEMBL12365027 0.79 RARA (0.52) RARARARBRARGMAP4K4XDH

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 3 patents. 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
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 RARA 3177/4885RARB 3149/4885RARG 2057/4885

“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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