SCHEMBL609449

SCHEMBL609449

O=Cc1ccc(-c2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
AHR P35869 2/20 0.50
ERN1 O75460 5/20 0.46
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 1/20 0.42
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL11872397 0.91 TDP1 (0.67) TDP1AHRERN1ALDH1A1
SCHEMBL1547171 0.86 TDP1 (0.55) TDP1ERN1KDM4EALDH1A1MAPT
SCHEMBL8035343 0.84 TDP1 (0.53) TDP1AHRERN1HSD17B10KDM4E
SCHEMBL5181460 0.84 TDP1 (0.53) TDP1ERN1ALOX5BACE1
SCHEMBL95435 0.82 TDP1 (1.00) TDP1ERN1HSD17B10KDM4EALDH1A1
SCHEMBL29889164 0.82 TDP1 (1.00) TDP1ERN1HSD17B10KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL8037724 0.80 TDP1 (0.95) TDP1ERN1HSD17B10KDM4EALDH1A1
SCHEMBL5736354 0.80 ALOX5 (0.59) TDP1ERN1ALOX5
SCHEMBL4552823 0.80 TDP1 (0.48) TDP1ERN1HSD17B10ALOX5BACE1
SCHEMBL27535920 0.80 TAAR1 (0.51) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150351401-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2015-12-10 US disclosed
EP-2935225-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2015-10-28 EP disclosed
WO-2014095655-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS BASF SE (DE) 2014-06-26 WO disclosed
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP disclosed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP disclosed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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 (2 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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT TDP1 1156/4885AHR 4215/4885ERN1 459/4885
US-20150351401-A1 SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS CYP1B1, CYP4B1, COX4I1 TDP1 1077/4885AHR 453/4885ERN1 3845/4885

“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.