SCHEMBL1200853

SCHEMBL1200853

COc1ccccc1CN1CCc2nc(NC(=O)c3cccc4[nH]c(NC(=O)c5cc6ccccc6cn5)nc34)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 5/20 0.41
NPC1 O15118 4/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
F10 P00742 1/20 0.41
KDR P35968 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL1200952 0.94 RAB9A (0.42) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1202360 0.91 MAPT (0.47) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1201988 0.90 MAPT (0.48) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1202485 0.88 MAPT (0.52) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1202226 0.87 MAPT (0.49) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1202481 0.87 GAA (0.46) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1201692 0.87 MAPT (0.45) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1201675 0.87 GAA (0.44) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL1201031 0.86 ALDH1A1 (0.46) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL9611611 0.86 MAPT (0.43) RAB9AALDH1A1KDM4ESMN1; SMN2MAPT

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
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-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-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 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
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 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 (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 RAB9A 2719/4885ALDH1A1 1717/4885KDM4E 3510/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2474/4885ALDH1A1 2426/4885KDM4E 3536/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885ALDH1A1 1717/4885KDM4E 3510/4885

“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.