SCHEMBL4168564

SCHEMBL4168564

CC(C)(C)OC(=O)Nc1ccc2nc(-c3ccc(CNC(=O)O)nc3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 3/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
SREBF2 Q12772 1/20 0.43
DYRK1A Q13627 1/20 0.43
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX3 P56373 1/20 0.42
PTGES O14684 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2100954 0.86 APP (0.46) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL4168569 0.83 APP (0.47) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL2100058 0.83 PAX8 (0.56) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL2055273 0.81 PAX8 (0.50) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL2100953 0.81 APP (0.45) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL23364361 0.80 APP (0.53) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL29874189 0.80 APP (0.53) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL27756635 0.78 KDM4E (0.47) APPMAPTSMN1; SMN2TP53NPC1
SCHEMBL13350016 0.77 KDM4E (0.58) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL4166800 0.76 APP (0.65) APPMAPTSMN1; SMN2TP53NPC1

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 1/4885MAPT 2/4885SMN1; SMN2 1164/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 APP 2/4885MAPT 1/4885SMN1; SMN2 1170/4885

“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.