SCHEMBL4243777

SCHEMBL4243777

NC(=O)c1nc2cccc(C(=O)Nc3ncc[nH]3)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.39
HPGDS O60760 1/20 0.38
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.37
MAPT P10636 1/20 0.37
MAPK10 P53779 1/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4243785 0.86 PTGES (0.40) PTGESHPGDSNPC1RAB9AKMT2A
SCHEMBL4238104 0.77 NPC1 (0.40) PTGESHPGDSCSNK1A1TYRO3DYRK1B
SCHEMBL1202599 0.74 HPGDS (0.39) PTGESHPGDSNPC1RAB9AKMT2A
SCHEMBL1201169 0.74 NPC1 (0.41) PTGESHPGDSNPC1RAB9AKMT2A
SCHEMBL1202504 0.72 PTGES (0.42) PTGESHPGDSCSNK1A1TYRO3DYRK1B
SCHEMBL4235143 0.72 PARP1 (0.51) PARP1
SCHEMBL18132556 0.70 KMT2A (0.56) PTGESKMT2AMEN1MAPTPKM
SCHEMBL1202182 0.70 NPC1 (0.45) HPGDSNPC1RAB9AKMT2AMEN1
SCHEMBL4247758 0.70 PARP1 (0.39) PTGESHPGDSCSNK1A1TYRO3DYRK1B
SCHEMBL4235147 0.69 PARP1 (0.47) PTGESNPC1RAB9AKMT2AMEN1

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 9 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO 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 PTGES 2022/4885HPGDS 2231/4885CSNK1A1 837/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 2231/4885CSNK1A1 837/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP PTGES 2022/4885HPGDS 2231/4885CSNK1A1 837/4885

“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.