SCHEMBL4168569

SCHEMBL4168569

CN(C(=O)O)c1ccc(-c2nc3ccc(NC(=O)OC(C)(C)C)cc3s2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.43
SULT1A1 P50225 1/20 0.41
SREBF2 Q12772 1/20 0.41
TP53 P04637 4/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL2055273 0.93 PAX8 (0.50) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL23364361 0.88 APP (0.53) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL29874189 0.88 APP (0.53) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL27173135 0.88 PIK3CA (0.40) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2100954 0.84 APP (0.46) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2100061 0.84 PAX8 (0.60) APPMAPTNPC1RAB9AKDM4E
SCHEMBL4168564 0.83 APP (0.49) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL29453156 0.81 PAX8 (0.41) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL29453212 0.80 APP (0.44) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2100953 0.79 APP (0.45) APPSMN1; SMN2MAPTNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 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 (2 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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 APP 1/4885SMN1; SMN2 1164/4885MAPT 2/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 APP 2/4885SMN1; SMN2 1170/4885MAPT 1/4885

“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.