SCHEMBL4244464

SCHEMBL4244464

COc1ccc(CNC(=O)Nc2cccc3nc(N)[nH]c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
TRPV1 Q8NER1 1/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GSK3B P49841 8/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CCNE2 O96020 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SNCA P37840 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
GSK3A P49840 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
SCHEMBL4240679 0.90 TRPV1 (0.57) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL4244460 0.88 KDM4E (0.58) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL4239188 0.83 HPGD (0.52) KDM4EALDH1A1HDAC1SMN1; SMN2
SCHEMBL1201721 0.78 MEN1 (0.54) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL4240676 0.78 TRPV1 (0.56) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL4247246 0.74 ABCG2 (0.58) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL4246325 0.72 HPGD (0.64) KDM4EALDH1A1KMT2ARAB9A
SCHEMBL4243630 0.72 MEN1 (0.53) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL4025421 0.72 TRPV1 (1.00) KDM4EMEN1ALDH1A1KMT2ATRPV1
SCHEMBL5594906 0.71 CFD (0.74) KDM4EMEN1ALDH1A1KMT2ATRPV1

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 KDM4E 3510/4885MEN1 2918/4885ALDH1A1 1717/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 3510/4885MEN1 2918/4885ALDH1A1 1717/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885MEN1 2918/4885ALDH1A1 1717/4885

“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.