SCHEMBL4167569

SCHEMBL4167569

CN(C(=O)O)c1ccc(-c2nc3ccccc3s2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
APP P05067 5/20 0.52
PAX8 Q06710 2/20 0.52
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
TP53 P04637 3/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL2055270 0.84 PAX8 (0.72) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL4166806 0.82 APP (0.65) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL23753411 0.79 MAPT (0.55) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL27756630 0.78 PAX8 (0.53) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL2100061 0.78 PAX8 (0.60) RAB9ANPC1APPPAX8KDM4E
SCHEMBL2100053 0.77 NPC1 (0.48) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL3463002 0.76 USP30 (0.53) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4168569 0.75 APP (0.47) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL4167565 0.75 RAB9A (0.57) RAB9ANPC1MEN1KMT2AAPP
SCHEMBL21471952 0.74 RAB9A (0.68) RAB9ANPC1MEN1KMT2AAPP

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 RAB9A 2522/4885NPC1 94/4885MEN1 2676/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 RAB9A 3260/4885NPC1 156/4885MEN1 2385/4885

“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.