SCHEMBL2098993

SCHEMBL2098993

CN1CCN(c2ccc(-c3nc4ccc(C(=O)Cl)cc4s3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.48
ALDH1A1 P00352 3/20 0.43
DYRK1A Q13627 5/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 2/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL2055257 0.92 NFKB1 (0.53) APPALDH1A1DYRK1ARAB9AKDM4E
Hydrochloric Acid SCHEMBL2099947 0.91 NFKB1 (0.52) APPALDH1A1DYRK1ARAB9AKDM4E
SCHEMBL1754160 0.90 APP (0.61) APPALDH1A1DYRK1ARAB9AKDM4E
Acetic Acid SCHEMBL2101123 0.87 APP (0.58) APPALDH1A1DYRK1ARAB9AKDM4E
SCHEMBL2055199 0.85 NPC1 (0.47) APPALDH1A1RAB9AKDM4ENPC1
SCHEMBL2055192 0.84 APP (0.58) APPMAPT
Acetic Acid SCHEMBL2099175 0.84 APP (0.53) APPMAPT
SCHEMBL2055196 0.82 KDM4E (0.56) APPALDH1A1RAB9AKDM4ENPC1
SCHEMBL4168710 0.82 RAB9A (0.51) APPALDH1A1RAB9AKDM4ENPC1
SCHEMBL2099176 0.82 APP (0.47) APPALDH1A1DYRK1ARAB9AKDM4E

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-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-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 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 1/4885ALDH1A1 2100/4885DYRK1A 2480/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 APP 2/4885ALDH1A1 1704/4885DYRK1A 1771/4885

“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.