SCHEMBL4239128

SCHEMBL4239128

NC(=O)c1c(Cl)cccc1C[CH]C(=O)Nc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
PTGES O14684 6/20 0.37
JAK2 O60674 4/20 0.37
TYK2 P29597 4/20 0.37
JAK1 P23458 2/20 0.37
FFAR2 O15552 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4240809 0.87 PTGES (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4240718 0.84 CSNK1A1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4239412 0.84 PTGES (0.41) PTGESTYK2TAAR1NPC1RAB9A
SCHEMBL4247074 0.81 CSNK1A1 (0.45) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4243724 0.80 CSNK1A1 (0.39) PTGES
SCHEMBL4239784 0.78 FFAR2 (0.43) PTGESJAK2TYK2JAK1FFAR2
SCHEMBL4243618 0.76 PTGES (0.37) ADRA2AADRA2CPTGES
SCHEMBL4240368 0.76 PTGES (0.37) PTGES
SCHEMBL4242105 0.74 IKBKB (0.38) PTGESFFAR2SMN1; SMN2KMT2ANPC1
SCHEMBL4242690 0.73 PTGES (0.39) PTGESJAK2FFAR2

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 ADRA2A 2546/4885ADRA2C 1588/4885ADRA1D 1832/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ADRA2A 2546/4885ADRA2C 1588/4885ADRA1D 1832/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ADRA2A 2546/4885ADRA2C 1588/4885ADRA1D 1832/4885

“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.