SCHEMBL4243630

SCHEMBL4243630

COc1ccc(NC(=O)c2cccc3nc(N)[nH]c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 3/20 0.50
METAP2 P50579 1/20 0.50
AHR P35869 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PNLIP P16233 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
LMNA P02545 1/20 0.49
KDR P35968 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL4243626 0.86 MEN1 (0.51) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL4244194 0.85 GRM5 (0.51) MEN1KMT2AKDM4ERAB9AADORA3
SCHEMBL4239188 0.83 HPGD (0.52) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4247246 0.81 ABCG2 (0.58) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL1202057 0.78 ALDH1A1 (0.47) MEN1KMT2AGAAKDM4EMAPT
SCHEMBL4246325 0.77 HPGD (0.64) KMT2AKDM4ERAB9AMAPTALDH1A1
SCHEMBL1201415 0.76 MEN1 (0.47) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL1202312 0.76 MEN1 (0.48) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL1193117 0.76 MEN1 (0.42) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL4239821 0.75 NPC1 (0.50) KDM4ENPC1RAB9AMAPTCASP3

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 6 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-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 MEN1 2918/4885KMT2A 4094/4885GAA 15/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MEN1 2918/4885KMT2A 4094/4885GAA 15/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MEN1 2918/4885KMT2A 4094/4885GAA 15/4885

“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.