SCHEMBL4247241

SCHEMBL4247241

COc1ccc(CCNC(=O)c2cccc3nc(C(N)=O)[nH]c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
EGLN1 Q9GZT9 1/20 0.49
THRB P10828 1/20 0.48
UBE2I P63279 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
PDE10A Q9Y233 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL4239186 0.90 HPGD (0.50) ABCG2KMT2AMEN1ALDH1A1EGLN1
SCHEMBL4247246 0.88 ABCG2 (0.58) ABCG2KMT2AMEN1KDM4EALDH1A1
SCHEMBL4239167 0.87 MAPT (0.50) KDM4EALDH1A1EGLN1TP53MAPT
SCHEMBL4240676 0.84 TRPV1 (0.56) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL4243626 0.82 MEN1 (0.51) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL4246321 0.82 HPGD (0.58) KMT2AKDM4EALDH1A1
SCHEMBL4241525 0.79 PARP1 (0.41) KMT2AMAPT
SCHEMBL4239339 0.78 HPGD (0.52) KMT2AKDM4EALDH1A1TP53MAPT
SCHEMBL4244271 0.77 HTR2C (0.49) EGLN1
SCHEMBL4239188 0.77 HPGD (0.52) ABCG2KDM4EALDH1A1EGLN1UBE2I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ABCG2 444/4885KMT2A 4094/4885MEN1 2918/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ABCG2 444/4885KMT2A 4094/4885MEN1 2918/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ABCG2 444/4885KMT2A 4094/4885MEN1 2918/4885

“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.