SCHEMBL4243696

SCHEMBL4243696

NC(=O)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.47
PARP1 P09874 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
BCAT2 O15382 1/20 0.43
CASP1 P29466 1/20 0.41
IKBKB O14920 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LIMK1 P53667 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHUK O15111 1/20 0.40
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14564382 0.90 DHODH (0.50) MAP2K3PARP1IKBKBLIMK1CHUK
SCHEMBL9324010 0.85 TP53 (0.44) MAP2K3MEN1KMT2AKDM4ECASP1
SCHEMBL27662263 0.85 TP53 (0.41) MAP2K3MEN1KMT2AKDM4ERAB9A
SCHEMBL14736658 0.83 ADORA3 (0.40) MAP2K3PARP1MEN1KMT2AKDM4E
SCHEMBL31110323 0.83 MKNK1 (0.51) PARP1KMT2AIKBKBLIMK1RXFP1
SCHEMBL7438138 0.82 HPGDS (0.54) PARP1MEN1KMT2AKDM4ELIMK1
SCHEMBL7433733 0.82 DHODH (0.48) PARP1RAB9ADHODH
SCHEMBL21336547 0.82 MEN1 (0.38) MAP2K3PARP1MEN1KMT2AKDM4E
SCHEMBL9521709 0.82 ALDH1A1 (0.41) MAP2K3PARP1MEN1KMT2AKDM4E
SCHEMBL22410206 0.82 BCAT2 (0.38) MAP2K3PARP1MEN1KMT2AKDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763173-A Phenethyl imidazole derivative and application thereof 河南大学 2020-10-13 CN 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 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
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP 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
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
EP-0365030-B1 Imidazole compound and process for preparing the same ISHIHARA SANGYO KAISHA (JP) 1994-01-26 EP disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed
US-5023336-A Fungicides, biocides ISHIHARA SANGYO KAISHA LTD. (JP) 1991-06-11 US disclosed
EP-0365030-A1 Imidazole compound and process for preparing the same ISHIHARA SANGYO KAISHA, Ltd. (JP) 1990-04-25 EP 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 MAP2K3 3457/4885PARP1 1741/4885MEN1 2918/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAP2K3 3457/4885PARP1 1741/4885MEN1 2918/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAP2K3 3457/4885PARP1 1741/4885MEN1 2918/4885

“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.