SCHEMBL4244447

SCHEMBL4244447

Cc1ccc(CNC(=O)c2cccc3[nH]c(N)nc23)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 4/20 0.47
KMT2A Q03164 3/20 0.43
PARP1 P09874 2/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RAD52 P43351 1/20 0.39
UHRF1 Q96T88 1/20 0.39
POLB P06746 3/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PDPK1 O15530 1/20 0.39
ESR1 P03372 2/20 0.38
MAPK10 P53779 1/20 0.38
HTT P42858 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4244444 0.87 PARP1 (0.45) MAPTALDH1A1PKMKMT2APARP1
SCHEMBL4239974 0.82 HPGD (0.56) MAPTALDH1A1KMT2AKDM4EPOLB
SCHEMBL24754416 0.80 PARP1 (0.51) PARP1PKN1PKN2RAD52UHRF1
SCHEMBL24112332 0.78 PKN1 (0.61) PARP1PKN1PKN2
SCHEMBL4244395 0.77 HPGD (0.52) MAPTALDH1A1PKMKMT2AKDM4E
SCHEMBL1201777 0.76 MAPT (0.40) MAPTALDH1A1PKMKMT2AKDM4E
SCHEMBL29818173 0.76 ALDH1A1 (0.60) MAPTALDH1A1PKMKDM4EPOLB
SCHEMBL4239156 0.75 TSHR (0.55) PARP1RAD52UHRF1HTTHPGD
SCHEMBL4240730 0.75 RAB9A (0.65) MAPTALDH1A1KMT2AKDM4EPOLB
SCHEMBL4239542 0.75 CYP2C9 (0.49) ALDH1A1PARP1KDM4EMAPK10HPGD

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 8 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
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-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 MAPT 85/4885ALDH1A1 1717/4885PKM 3404/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPT 85/4885ALDH1A1 1717/4885PKM 3404/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MAPT 85/4885ALDH1A1 1717/4885PKM 3404/4885

“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.