SCHEMBL1200804

SCHEMBL1200804

O=C(Nc1nc2cccc(C(=O)Nc3ncc[nH]3)c2[nH]1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.56
RAB9A P51151 12/20 0.56
PKM P14618 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAOB P27338 2/20 0.56
ADORA2A P29274 2/20 0.56
SCD O00767 1/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
OPRK1 P41145 1/20 0.46
KLF5 Q13887 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL1201837 0.90 NPC1 (0.58) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL1202067 0.90 NPC1 (0.58) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9611616 0.88 NPC1 (0.61) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL1202219 0.88 NPC1 (0.61) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL1201446 0.88 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL12894532 0.88 NPC1 (0.43) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL1202260 0.88 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL1202229 0.88 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL1201716 0.87 HPGDS (0.54) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL1201794 0.87 RAB9A (0.60) NPC1RAB9APKMSMN1; SMN2MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US claimed
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 NPC1 188/4885RAB9A 2719/4885PKM 3404/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP NPC1 190/4885RAB9A 2474/4885PKM 4098/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885PKM 3404/4885

“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.