SCHEMBL4237753

SCHEMBL4237753

CCCOc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(N)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
PTGES O14684 11/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL4234877 0.95 HPGDS (0.44) HPGDSLMNAMAPK1HIF1APTGES
SCHEMBL4239761 0.92 HPGDS (0.44) HPGDSPTGESSMN1; SMN2HTTMAPT
SCHEMBL4237745 0.88 HPGDS (0.41) HPGDSLMNAMAPK1HIF1APTGES
SCHEMBL4234889 0.88 HPGDS (0.53) HPGDSLMNAPTGESSMN1; SMN2MAPT
SCHEMBL4244438 0.85 HPGDS (0.43) HPGDSPTGESPRMT5WDR77
SCHEMBL4242577 0.84 HPGDS (0.41) HPGDSPTGES
SCHEMBL4234871 0.83 HPGDS (0.43) HPGDSLMNAMAPK1HIF1APTGES
SCHEMBL4243793 0.82 PTGES (0.43) HPGDSPTGES
SCHEMBL4243747 0.82 PTGES (0.38) HPGDSLMNAMAPK1PTGESSMN1; SMN2
SCHEMBL1202299 0.81 HPGDS (0.41) HPGDSLMNAMAPK1HIF1APTGES

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 HPGDS 2231/4885LMNA 679/4885MAPK1 4132/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP HPGDS 2231/4885LMNA 679/4885MAPK1 4132/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP HPGDS 2231/4885LMNA 679/4885MAPK1 4132/4885

“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.