SCHEMBL1201031

SCHEMBL1201031

CC(C)Oc1ccc(CN2CCc3nc(NC(=O)c4cccc5[nH]c(NC(=O)c6cc7ccccc7cn6)nc45)sc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 7/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 1/20 0.44
GRAMD1A Q96CP6 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL1202360 0.93 MAPT (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1202226 0.91 MAPT (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1202485 0.90 MAPT (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1201988 0.89 MAPT (0.48) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1201675 0.89 GAA (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1201959 0.88 MAPT (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL2076565 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1202499 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1201933 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A
SCHEMBL1201658 0.88 GAA (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2RAB9A

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 10 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

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 ALDH1A1 1717/4885KDM4E 3510/4885MAPT 85/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 2426/4885KDM4E 3536/4885MAPT 102/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 1717/4885KDM4E 3510/4885MAPT 85/4885

“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.