SCHEMBL4235809

SCHEMBL4235809

NC(=O)c1nc2cccc(C(=O)NCc3ccc(C(F)(F)F)c(F)c3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
RAB9A P51151 1/20 0.41
P2RX7 Q99572 1/20 0.40
MMP13 P45452 3/20 0.40
CNR2 P34972 1/20 0.39
RPS6KB1 P23443 2/20 0.38
CD38 P28907 2/20 0.38
PTGES O14684 2/20 0.38
CHRM3 P20309 1/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4235813 0.88 PTGER4 (0.45) PTGER4HCRTR1HCRTR2PPARGPPARD
SCHEMBL4243703 0.84 ROCK1 (0.46) RAB9AMMP13RPS6KB1AURKAAURKB
SCHEMBL4246314 0.84 SMN1; SMN2 (0.50) RAB9ARPS6KB1LMNAAURKAHTT
SCHEMBL4242333 0.83 AURKA (0.44) RAB9AMMP13RPS6KB1AURKAAURKB
SCHEMBL4244271 0.80 HTR2C (0.49) PTGER4PPARGPPARDPPARAMMP13
SCHEMBL4239959 0.80 SMN1; SMN2 (0.53) CNR2LMNASMN1; SMN2
SCHEMBL4239339 0.79 HPGD (0.52) LMNA
SCHEMBL4241582 0.79 POLA1 (0.46) RAB9ACD38LMNAHTTSMN1; SMN2
SCHEMBL4241181 0.78 KMT2A (0.54)
SCHEMBL1201639 0.78 PTGER4 (0.42) PTGER4HCRTR1HCRTR2PPARGPPARD

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 PTGER4 3554/4885HCRTR1 2404/4885HCRTR2 1936/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGER4 3554/4885HCRTR1 2404/4885HCRTR2 1936/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGER4 3554/4885HCRTR1 2404/4885HCRTR2 1936/4885

“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.