SCHEMBL4239188

SCHEMBL4239188

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.49
EGLN1 Q9GZT9 1/20 0.49
UBE2I P63279 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
RXFP1 Q9HBX9 2/20 0.48
TP53 P04637 1/20 0.48
HDAC1 Q13547 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL4246325 0.89 HPGD (0.64) HPGDLMNAMAPTALDH1A1KDM4E
SCHEMBL4247246 0.89 ABCG2 (0.58) LMNASMN1; SMN2EGLN1UBE2ICACNA1B
SCHEMBL4239341 0.87 HPGD (0.57) HPGDLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL4239186 0.87 HPGD (0.50) HPGDLMNASMN1; SMN2MAPTEGLN1
SCHEMBL4244275 0.86 HTR2C (0.51) EGLN1
SCHEMBL4239965 0.86 SMN1; SMN2 (0.55) HPGDLMNASMN1; SMN2MAPTTP53
SCHEMBL4241583 0.85 ADORA2A (0.48) HPGDLMNASMN1; SMN2EGLN1ALDH1A1
SCHEMBL4246316 0.85 KMT2A (0.52) LMNASMN1; SMN2MAPTEGLN1
SCHEMBL4243630 0.83 MEN1 (0.53) LMNASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4244464 0.83 KDM4E (0.60) SMN1; SMN2ALDH1A1KDM4EHDAC1

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 5 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
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 1702/4885LMNA 679/4885SMN1; SMN2 1971/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HPGD 1702/4885LMNA 679/4885SMN1; SMN2 1971/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGD 1702/4885LMNA 679/4885SMN1; SMN2 1971/4885

“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.