SCHEMBL7916672

SCHEMBL7916672

COC(=O)c1ccc2cccc(-c3cccc(OC)c3F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.46
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HDAC6 Q9UBN7 1/20 0.42
LCK P06239 1/20 0.42
RAB9A P51151 5/20 0.41
MEN1 O00255 3/20 0.41
ERN1 O75460 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PFKFB3 Q16875 1/20 0.40
PFKFB4 Q16877 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL16502424 0.89 CCNT1 (0.42) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL7921779 0.89 NR3C1 (0.46) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL16502493 0.88 RAB9A (0.50) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL16502530 0.86 NPC1 (0.47) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL16494683 0.86 MAPT (0.43) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL7921781 0.84 TP53 (0.46) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL16502599 0.84 MAPT (0.42) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL16502438 0.84 NPC1 (0.53) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL16502581 0.83 ALDH1A1 (0.53) NQO2MAPTKMT2AALDH1A1KDM4E
SCHEMBL7915360 0.83 NPC1 (0.45) NQO2MAPTKMT2AALDH1A1KDM4E

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 4 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
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 NQO2 641/4885MAPT 425/4885KMT2A 2627/4885

“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.