SCHEMBL4239702

SCHEMBL4239702

Nc1nc2cc(C(=O)Nc3nc4ccccc4s3)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
KDM4E B2RXH2 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TOP1 P11387 2/20 0.62
SCD O00767 7/20 0.58
HTT P42858 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.55
DHODH Q02127 2/20 0.55
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54

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
SCHEMBL4239700 0.87 TOP1 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5809302 0.79 JAK2 (0.59) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4917567 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4247281 0.79 NPC1 (0.65) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1354240 0.78 NPC1 (0.74) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL30582282 0.78 NPC1 (0.74) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2932310 0.78 TOP1 (0.52) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL1201612 0.78 TOP1 (0.52) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL14807588 0.78 TOP1 (0.74) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2930137 0.77 TOP1 (0.51) NPC1RAB9AMEN1KMT2AKDM4E

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-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
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 NPC1 188/4885RAB9A 2719/4885MEN1 2918/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885MEN1 2918/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP NPC1 188/4885RAB9A 2719/4885MEN1 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.