SCHEMBL4240247

SCHEMBL4240247

O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
HPGD P15428 1/20 0.61
MAOB P27338 3/20 0.56
ADORA2A P29274 3/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
PARP1 P09874 3/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PKM P14618 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MTOR P42345 2/20 0.48
SCD O00767 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CDK12 Q9NYV4 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
P2RY14 Q15391 1/20 0.47
OPRK1 P41145 1/20 0.45
KLF5 Q13887 1/20 0.45

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
SCHEMBL4240383 0.89 KDM4E (0.49) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4244245 0.85 MAOB (0.65) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4243664 0.85 DHODH (0.62) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4238754 0.85 MAOB (0.55) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL1200778 0.84 MAOB (0.47) KDM4EMAOBADORA2AADORA2BADORA1
SCHEMBL4239792 0.83 NPC1 (0.65) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4243702 0.82 DHODH (0.62) KDM4EMAOBADORA2AADORA2BADORA1
SCHEMBL4239744 0.81 MAOB (0.56) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4235830 0.81 NPC1 (0.61) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4244619 0.79 DHODH (0.54) MAOBADORA2AADORA2BADORA1PARP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed
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-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 KDM4E 3510/4885HPGD 1702/4885MAOB 269/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP KDM4E 3510/4885HPGD 1702/4885MAOB 269/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP KDM4E 3510/4885HPGD 1702/4885MAOB 269/4885

“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.