SCHEMBL4244530

SCHEMBL4244530

NC(=O)NC(=O)[CH]Cc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
EPHX1 P07099 1/20 0.36
NTRK1 P04629 1/20 0.35
IDO1 P14902 2/20 0.33
BACE1 P56817 2/20 0.33
GSK3B P49841 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NR3C2 P08235 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AURKB Q96GD4 1/20 0.31
EGFR P00533 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL3345536 0.75 HTT (0.41) CES2CES1ALDH1A1
SCHEMBL7358482 0.74 CA2 (0.46) IDO1BACE1ALDH1A1MEN1KMT2A
SCHEMBL4286019 0.71 KDM4E (0.50) MAPK8EPHX1IDO1NR3C2ALDH1A1
SCHEMBL5966615 0.71 PDPK1 (0.43) EPHX1MEN1KMT2A
SCHEMBL4240665 0.70 NTRK1 (0.33) MAPK8NTRK1
SCHEMBL23385216 0.68 CYP2C9 (0.50) MAPK8NTRK1IDO1CES2CES1
SCHEMBL6798017 0.68 IDO1 (0.49) MAPK8EPHX1IDO1ALDH1A1MEN1
SCHEMBL4890227 0.68 BCAT2 (0.37) MAPK8EPHX1NTRK1IDO1BACE1
SCHEMBL7352404 0.68 RECQL (0.56) MAPK8MAPT
SCHEMBL630790 0.67 GLA (0.53) ALDH1A1KMT2AMAPT

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-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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
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 MAPK8 4603/4885EPHX1 535/4885NTRK1 4191/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPK8 4603/4885EPHX1 535/4885NTRK1 4191/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPK8 4603/4885EPHX1 535/4885NTRK1 4191/4885

“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.