SCHEMBL1201658

SCHEMBL1201658

CC(C)CCN1CCc2nc(NC(=O)c3cccc4[nH]c(NC(=O)c5cc6ccccc6cn5)nc34)sc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 6/20 0.41
RAB9A P51151 6/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
GRM5 P41594 1/20 0.41
F10 P00742 1/20 0.41
NPC1 O15118 4/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 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
SCHEMBL1201675 0.93 GAA (0.44) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1202481 0.92 GAA (0.46) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1200931 0.90 KDM4E (0.43) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL12845749 0.90 GAA (0.44) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1201251 0.90 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1200879 0.89 GAA (0.42) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1200693 0.89 GAA (0.44) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1202777 0.89 GAA (0.41) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL1202345 0.89 F10 (0.50) ALDH1A1SMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL1201963 0.88 MAPT (0.42) GAAALDH1A1SMN1; SMN2MAPTRAB9A

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 GAA 15/4885ALDH1A1 1717/4885SMN1; SMN2 1971/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP GAA 22/4885ALDH1A1 2426/4885SMN1; SMN2 2050/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GAA 15/4885ALDH1A1 1717/4885SMN1; SMN2 1971/4885

“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.