SCHEMBL4246325

SCHEMBL4246325

COc1cccc(CNC(=O)c2cccc3nc(N)[nH]c23)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
KDM4E B2RXH2 1/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
APEX1 P27695 1/20 0.56
RAB9A P51151 1/20 0.55
MMP13 P45452 7/20 0.55
KMT2A Q03164 1/20 0.54
ROCK1 Q13464 2/20 0.54
ROCK2 O75116 1/20 0.54
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 1/20 0.52

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) HPGDKDM4EUSP2ALDH1A1MAPT
SCHEMBL4246321 0.88 HPGD (0.58) HPGDKDM4EUSP2ALDH1A1APEX1
SCHEMBL4239965 0.84 SMN1; SMN2 (0.55) HPGDAPEX1KMT2AMAPTLMNA
SCHEMBL4243705 0.84 ROCK1 (0.50) HPGDKDM4EALDH1A1ROCK1ROCK2
SCHEMBL4239341 0.81 HPGD (0.57) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL4247246 0.81 ABCG2 (0.58) KDM4EALDH1A1KMT2ALMNATHRB
SCHEMBL4242338 0.80 EGLN1 (0.46) HPGDKDM4EALDH1A1RAB9AKMT2A
SCHEMBL4235288 0.80 HPGD (0.62) HPGDKDM4EALDH1A1KMT2AROCK1
SCHEMBL5952409 0.79 SMN1; SMN2 (0.61) HPGDKDM4EUSP2ALDH1A1APEX1
SCHEMBL4241583 0.79 ADORA2A (0.48) HPGDKDM4EALDH1A1RAB9AKMT2A

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 HPGD 1702/4885KDM4E 3510/4885USP2 1562/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HPGD 1702/4885KDM4E 3510/4885USP2 1562/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGD 1702/4885KDM4E 3510/4885USP2 1562/4885

“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.