SCHEMBL6068229

SCHEMBL6068229

Clc1[c]c(Cl)c(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
PTGS2 P35354 3/20 0.35
TDO2 P48775 1/20 0.34
NOTUM Q6P988 2/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALOX5 P09917 1/20 0.31
IKBKB O14920 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL456350 0.82 CYP2A6 (0.44) CYP1A2LMNACYP2A6KDM4EALOX5
SCHEMBL15286361 0.78 AHR (0.36) AHRCYP1A2LMNACYP2A6PTGS2
SCHEMBL8306742 0.78 APP (0.42) CYP1A2PTGS2KDM4E
SCHEMBL2114341 0.78 AKR1C3 (0.35) PTGS2NOTUMPTGS1
SCHEMBL15287170 0.75 TDO2 (0.41) TDO2NOTUMGAAALOX5
SCHEMBL7703851 0.75 GSTP1 (0.49) GAA
SCHEMBL15287382 0.74 AHR (0.45) AHRLMNAKDM4EMGAMGAA
SCHEMBL4284712 0.72 ALDH1A1 (0.41) AHRALOX5
SCHEMBL4283008 0.71 HPGDS (0.38) PTGS2TDO2PTGS1
SCHEMBL17514849 0.71 KMO (0.36) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US claimed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US claimed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP claimed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO claimed
US-9307767-B2 Herbicidally and insecticidally active thiazolopyridinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-12 US disclosed
EP-2831084-B1 HERBICIDAL AND INSECTICIDAL THIAZOLOPYRIDINONES BAYER IP GMBH (DE) 2016-03-23 EP disclosed
US-20150045217-A1 Herbicidally and Insecticidally Active Thiazolopyridinones BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-02-12 US disclosed
CN-104350059-A Herbicidally and insecticidally active thiazolopyridinones BAYER IP GMBH 2015-02-11 CN disclosed
EP-2831084-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE THIAZOLOPYRIDINONES Bayer Intellectual Property GmbH (DE) 2015-02-04 EP disclosed
WO-2013144096-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE THIAZOLOPYRIDINONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 WO disclosed
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 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-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 AHR 1859/4885CYP1A2 1116/4885LMNA 4849/4885
US-20150045217-A1 Herbicidally and Insecticidally Active Thiazolopyridinones CBR3, DDT, CBR1 AHR 391/4885CYP1A2 121/4885LMNA 4047/4885

“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.