SCHEMBL1095256

SCHEMBL1095256

O=C(Cl)c1ccc2nc(Cl)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 1/20 0.46
LRRK2 Q5S007 2/20 0.45
DYRK1A Q13627 2/20 0.44
FSCN1 Q16658 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 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
SCHEMBL1036069 0.86 KDM4E (0.62) SMN1; SMN2KMT2AKDM4ENFKB1NFKB2
SCHEMBL1095490 0.86 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL2000313 0.85 NPC1 (0.51) SMN1; SMN2KMT2AKDM4ENFKB1NFKB2
SCHEMBL2055271 0.85 DYRK1A (0.58) SMN1; SMN2KMT2AKDM4ENFKB1NFKB2
Hydrochloric Acid SCHEMBL7753018 0.85 KDM4E (0.60) SMN1; SMN2KMT2AKDM4ENFKB1NFKB2
SCHEMBL1748004 0.82 SMN1; SMN2 (0.63) SMN1; SMN2KMT2ALMNALRRK2DYRK1A
SCHEMBL27549467 0.81 RAB9A (0.59) SMN1; SMN2KMT2AKDM4ELMNANPC1
SCHEMBL1983363 0.81 PIK3CA (0.64) SMN1; SMN2KMT2AKDM4ELMNANPC1
SCHEMBL1748181 0.81 KMT2A (0.46) SMN1; SMN2KMT2AKDM4ENFKB1NFKB2
Hydrochloric Acid SCHEMBL10757074 0.80 RAB9A (0.58) SMN1; SMN2KMT2AKDM4ELMNANPC1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693414-A Compound with 3CL protease inhibition activity and application thereof 深圳市小分子新药创新中心有限公司 2023-09-05 CN disclosed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
EP-2237779-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE Abbott Laboratories (US) 2010-10-13 EP disclosed
WO-2009085945-A1 BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
WO-2008124393-A1 BENZOTHIAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-16 WO disclosed
EP-1068390-A1 METHOD FOR IMPROVED WET STRENGTH PAPER Kimberly-Clark Worldwide, Inc. (US) 2001-01-17 EP disclosed
WO-1999045201-A1 METHOD FOR IMPROVED WET STRENGTH PAPER KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-09-10 WO disclosed
US-4210582-A FIBER-REACTIVE YELLOW DYES FOR WOOL CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4204056-A Process and intermediates for preparing fiber-reactive phthalocyanine dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
US-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-RE29585-E DYEING WOOL CIBA-GEIGY CORPORATION (US) 1978-03-21 US disclosed
US-4067864-A FOR CELLULOSE OR POLYAMIDES CIBA-GEIGY AG (CH) 1978-01-10 US disclosed
US-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 US disclosed
US-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component CIBA-GEIGY AG (CH) 1976-07-27 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 (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-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 SMN1; SMN2 4187/4885KMT2A 1835/4885KDM4E 2024/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 SMN1; SMN2 4187/4885KMT2A 1835/4885KDM4E 2024/4885

“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.