SCHEMBL4247246

SCHEMBL4247246

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 1/20 0.54
EGLN1 Q9GZT9 1/20 0.51
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
UBE2I P63279 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL4239188 0.89 HPGD (0.52) ABCG2EGLN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4247241 0.88 ABCG2 (0.56) ABCG2KMT2AMEN1EGLN1ADORA2A
SCHEMBL4239170 0.87 RAB9A (0.51) EGLN1ADORA2AADORA1KDM4EALDH1A1
SCHEMBL4240679 0.83 TRPV1 (0.57) KMT2AMEN1ADORA2AADORA1SMN1; SMN2
SCHEMBL4243630 0.81 MEN1 (0.53) KMT2AMEN1GAASMN1; SMN2KDM4E
SCHEMBL4246325 0.81 HPGD (0.64) KMT2AKDM4EALDH1A1LMNATHRB
SCHEMBL1202194 0.78 KMT2A (0.52) ABCG2KMT2AMEN1EGLN1KDM4E
SCHEMBL4241526 0.78 PTK2 (0.41) KMT2A
SCHEMBL4239186 0.77 HPGD (0.50) ABCG2KMT2AMEN1EGLN1SMN1; SMN2
SCHEMBL4239341 0.77 HPGD (0.57) KMT2AADORA2AADORA1SMN1; SMN2KDM4E

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.