SCHEMBL4239116

SCHEMBL4239116

O=C(Nc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
P2RY14 Q15391 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
PARP1 P09874 1/20 0.41
MTOR P42345 1/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
SCD O00767 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PTGS1 P23219 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
SCHEMBL1201644 0.87 MCHR1 (0.47) MCHR1P2RY14TRPV1PARP1MTOR
SCHEMBL4236182 0.82 MTOR (0.51) P2RY14MTORNPC1PKMRAB9A
SCHEMBL4240383 0.80 KDM4E (0.49) MCHR1P2RY14TRPV1PARP1MAOB
SCHEMBL4243659 0.79 PPARG (0.53) TRPV1NPC1PKMRAB9ASMN1; SMN2
SCHEMBL4235573 0.79 NPC1 (0.63) MTORNPC1PKMRAB9ASMN1; SMN2
SCHEMBL4235245 0.79 NPC1 (0.63) NPC1PKMRAB9ASMN1; SMN2MAOB
SCHEMBL4235191 0.77 NPC1 (0.63) NPC1PKMRAB9ASMN1; SMN2MAOB
SCHEMBL4241952 0.74 NPC1 (0.48) NPC1PKMRAB9ASMN1; SMN2MAOB
SCHEMBL4243716 0.74 RAB9A (0.65) MTORNPC1PKMRAB9ASMN1; SMN2
SCHEMBL4235528 0.74 NPC1 (0.64) MTORNPC1PKMRAB9ASMN1; 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 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 MCHR1 4831/4885P2RY14 2750/4885TRPV1 3948/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MCHR1 4831/4885P2RY14 2750/4885TRPV1 3948/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MCHR1 4831/4885P2RY14 2750/4885TRPV1 3948/4885

“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.