SCHEMBL7917291

SCHEMBL7917291

COC(=O)c1ccc2cccc(-c3cccc(Cl)c3C#N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
NQO2 P16083 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PLAU P00749 2/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
LCK P06239 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL7917793 0.86 MAPT (0.41) TP53NQO2L3MBTL1PLAUMAPT
SCHEMBL7920115 0.86 NPC1 (0.42) TP53NQO2L3MBTL1PLAUMAPT
SCHEMBL16509487 0.85 ALOX15 (0.44) TP53MRGPRX4NQO2L3MBTL1PLAU
SCHEMBL16503469 0.85 MRGPRX4 (0.47) MRGPRX4MAPTALDH1A1HTTKMT2A
SCHEMBL16502432 0.85 MAPT (0.48) TP53NQO2L3MBTL1PLAUMAPT
SCHEMBL16509549 0.84 TP53 (0.41) TP53MRGPRX4NQO2L3MBTL1PLAU
SCHEMBL7916653 0.84 TP53 (0.46) TP53NQO2L3MBTL1PLAUMAPT
SCHEMBL7921781 0.83 TP53 (0.46) TP53NQO2L3MBTL1PLAUMAPT
SCHEMBL7919793 0.83 LCK (0.48) TP53NQO2L3MBTL1PLAUMAPT
SCHEMBL16502488 0.82 TP53 (0.47) TP53NQO2L3MBTL1PLAUMAPT

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-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A TP53 2800/4885MRGPRX4 2010/4885NQO2 641/4885

“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.