SCHEMBL4246337

SCHEMBL4246337

N#Cc1ccc(CNC(=O)c2cccc3nc(N)[nH]c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.44
KLK1 P06870 2/20 0.44
EPHX2 P34913 1/20 0.43
CNR2 P34972 3/20 0.42
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 1/20 0.41
NSD2 O96028 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.40
DHFR P00374 1/20 0.40
MMP13 P45452 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
SCHEMBL4246334 0.87 KLKB1 (0.43) KLKB1KLK1EPHX2CNR2SMN1; SMN2
SCHEMBL4239965 0.86 SMN1; SMN2 (0.55) GALR3NR2F2SMN1; SMN2ESR1MAPT
SCHEMBL4239341 0.85 HPGD (0.57) SMN1; SMN2ESR1MAPTMAPK10KMT2A
SCHEMBL4241583 0.85 ADORA2A (0.48) GALR3NR2F2SMN1; SMN2KMT2AKDM4E
SCHEMBL4246316 0.85 KMT2A (0.52) GALR3NR2F2SMN1; SMN2MAPTKMT2A
SCHEMBL4241186 0.82 KMT2A (0.55) KMT2AKDM4EALDH1A1
SCHEMBL4239188 0.82 HPGD (0.52) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL4244275 0.80 HTR2C (0.51) KLKB1EPHX2MMP13
SCHEMBL4242338 0.80 EGLN1 (0.46) GALR3NR2F2SMN1; SMN2ESR1MAPT
SCHEMBL4243705 0.79 ROCK1 (0.50) SMN1; SMN2MAPTKDM4EALDH1A1HPGD

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 6 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-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 KLKB1 1965/4885KLK1 2485/4885EPHX2 677/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KLKB1 1965/4885KLK1 2485/4885EPHX2 677/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KLKB1 1965/4885KLK1 2485/4885EPHX2 677/4885

“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.