SCHEMBL4236182

SCHEMBL4236182

O=C(Nc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
KDR P35968 2/20 0.48
TEK Q02763 2/20 0.48
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
PKM P14618 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
KLF5 Q13887 1/20 0.43
SCD O00767 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1202649 0.86 MTOR (0.48) MTORKDRTEKNPC1RAB9A
SCHEMBL4243716 0.84 RAB9A (0.65) MTORNPC1RAB9APKMSMN1; SMN2
SCHEMBL4243659 0.82 PPARG (0.53) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL4235573 0.82 NPC1 (0.63) MTORNPC1RAB9APKMSMN1; SMN2
SCHEMBL4239116 0.82 MCHR1 (0.47) MTORNPC1RAB9APKMSMN1; SMN2
SCHEMBL4235245 0.82 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL4235191 0.80 NPC1 (0.63) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL4241952 0.77 NPC1 (0.48) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL4235528 0.77 NPC1 (0.64) MTORNPC1RAB9APKMSMN1; SMN2
SCHEMBL4237808 0.76 SMN1; SMN2 (0.66) NPC1RAB9APKMSMN1; 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 7 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
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 MTOR 2473/4885KDR 4548/4885TEK 4265/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MTOR 2473/4885KDR 4548/4885TEK 4265/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MTOR 2473/4885KDR 4548/4885TEK 4265/4885

“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.