SCHEMBL1201796

SCHEMBL1201796

O=C(Nc1nc2c(C(=O)Nc3nc4c(s3)CCCC4)cccc2[nH]1)c1cc2ccccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 5/20 0.45
THRB P10828 1/20 0.45
TMIGD3 P0DMS9 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 4/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL1202345 0.87 F10 (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1201035 0.87 MAPT (0.53) TP53MAPTLMNATHRBNPC1
SCHEMBL1201426 0.85 MAOB (0.41) TP53MAPTLMNAADORA1NPC1
SCHEMBL1201656 0.85 GRM5 (0.42) MAPTADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL1202226 0.84 MAPT (0.49) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1202481 0.84 GAA (0.46) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1204063 0.84 MAPT (0.44) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1202485 0.84 MAPT (0.52) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1201963 0.83 MAPT (0.42) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1201675 0.83 GAA (0.44) TP53MAPTNPC1RAB9ASMN1; SMN2

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 TP53 2464/4885MAPT 85/4885LMNA 679/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP TP53 2358/4885MAPT 102/4885LMNA 457/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP TP53 2464/4885MAPT 85/4885LMNA 679/4885

“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.