SCHEMBL7915352

SCHEMBL7915352

COC(=O)c1ccc2cccc(-c3cccc(C#N)c3F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
PLAU P00749 2/20 0.40
LCK P06239 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16502466 0.90 KIF11 (0.43) NQO2PLAULCKADORA2AADORA2B
SCHEMBL16502455 0.87 GRM5 (0.41) NQO2PLAULCKHTTNPC1
SCHEMBL16502474 0.87 NPC1 (0.41) NQO2PLAULCKADORA2AADORA2B
SCHEMBL16502482 0.87 PARP1 (0.42) NQO2PLAULCKHTTNPC1
SCHEMBL7348003 0.86 NQO2 (0.46) NQO2PLAULCKALOX15HTT
SCHEMBL16509448 0.85 PLA2G2D (0.47)
SCHEMBL7920115 0.84 NPC1 (0.42) NQO2PLAULCKALOX15HTT
SCHEMBL16502530 0.83 NPC1 (0.47) NQO2PLAULCKALOX15HTT
SCHEMBL16509452 0.83 MAPT (0.38) NQO2PLAULCKADORA2AADORA2B
SCHEMBL16502550 0.82 PLAU (0.47) NQO2PLAULCKALOX15HTT

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 2 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
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 NQO2 641/4885PLAU 2773/4885LCK 2119/4885

“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.