SCHEMBL1201709

SCHEMBL1201709

COC(=O)c1cccc2c1nc(N)n2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
CFTR P13569 2/20 0.46
CYP1A2 P05177 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
GLA P06280 2/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 1/20 0.43
PNP P00491 1/20 0.43

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
SCHEMBL22119014 0.79 HTT (0.45) ALDH1A1HTTSMN1; SMN2KDM4EHSD17B10
SCHEMBL11947882 0.78 PARP1 (0.48) ALDH1A1CFTRKDM4EHSD17B10GAA
SCHEMBL7966864 0.76 PARP1 (0.51) ALDH1A1POLBSMN1; SMN2KDM4EHSD17B10
SCHEMBL4235009 0.75 PNP (0.39) HTTCYP1A2SMN1; SMN2KDM4EHSD17B10
SCHEMBL1201668 0.75 KMT2A (0.45) ALDH1A1HTTCYP1A2SMN1; SMN2KDM4E
SCHEMBL4251187 0.75 EGLN1 (0.50) L3MBTL1PKM
SCHEMBL5210919 0.75 PLA2G2A (0.52) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL24745161 0.73 PTGDR2 (0.50) HTTKDM4EHSD17B10GAAHPGD
SCHEMBL30000721 0.73 PTGDR2 (0.50) HTTKDM4EHSD17B10GAAHPGD
SCHEMBL7427558 0.73 TSPO (0.47) ALDH1A1HTTSMN1; SMN2KDM4EHSD17B10

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 11 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-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 (4 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 ALDH1A1 1717/4885POLB 972/4885HTT 472/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 2426/4885POLB 940/4885HTT 592/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885POLB 972/4885HTT 472/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885POLB 972/4885HTT 472/4885

“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.