SCHEMBL4247737

SCHEMBL4247737

O=C(O)c1cccc2[nH]c(NC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.50
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
PARP1 P09874 3/20 0.44
DHODH Q02127 7/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4244245 0.83 MAOB (0.65) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL1201843 0.82 FFAR2 (0.51) FFAR2MAOBADORA2AADORA2BADORA1
SCHEMBL4242327 0.75 NPC1 (0.52) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL6988487 0.75 KDM4E (0.51) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL4244210 0.74 MAOB (0.46) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL4244787 0.72 MAOB (0.51) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL20449581 0.72 KDM4E (0.60) KDM4EHPGDPARP1DHODH
SCHEMBL4243664 0.71 DHODH (0.62) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL4242624 0.71 DHODH (0.52) MAOBADORA2AADORA2BADORA1KDM4E
SCHEMBL4241721 0.70 NPC1 (0.58) MAOBADORA2AADORA2BADORA1KDM4E

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 FFAR2 4632/4885MAOB 269/4885ADORA2A 3841/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP FFAR2 4632/4885MAOB 269/4885ADORA2A 3841/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP FFAR2 4632/4885MAOB 269/4885ADORA2A 3841/4885

“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.