SCHEMBL3901006

SCHEMBL3901006

c1ccc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
ENPP2 Q13822 1/20 0.62
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA10 Q9GZZ6 1/20 0.54
CHRNA9 Q9UGM1 1/20 0.54
GSTP1 P09211 2/20 0.50
MCL1 Q07820 2/20 0.49
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NSD2 O96028 1/20 0.49
ABL1 P00519 1/20 0.49
PPARG P37231 1/20 0.49
RIN1 Q13671 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48

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
SCHEMBL329575 0.88 ALOX5 (0.62) NPC1ENPP2L3MBTL1NSD2ABL1
Indole SCHEMBL15320969 0.84 ALOX5 (0.61) ENPP2L3MBTL1NSD2ABL1PPARG
Hexane SCHEMBL27537617 0.81 ALOX5 (0.53) NPC1ENPP2L3MBTL1NSD2ABL1
Pyridine SCHEMBL28518713 0.81 ALOX5 (0.53) NPC1ENPP2CYP17A1CYP11B1CYP11B2
SCHEMBL8228019 0.81 CYP2A6 (0.57) ENPP2L3MBTL1NSD2ABL1PPARG
SCHEMBL9525385 0.81 ALOX5 (0.53) NPC1ENPP2L3MBTL1NSD2ABL1
SCHEMBL12069204 0.80 NPC1 (0.74) NPC1ENPP2CHRNB4CHRNA3CHRNA7
SCHEMBL858648 0.80 CDK8 (0.67) L3MBTL1NSD2ABL1PPARGRIN1
SCHEMBL30587350 0.79 NPC1 (1.00) NPC1ENPP2CYP17A1CYP11B1CYP11B2
SCHEMBL446619 0.79 NPC1 (1.00) NPC1ENPP2CYP17A1CYP11B1CYP11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 NPC1 639/4885ENPP2 82/4885CHRNB4 2664/4885

“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.