SCHEMBL435265

SCHEMBL435265

Clc1[c]ccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
AHR P35869 3/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
BACE1 P56817 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MST1R Q04912 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL5584076 0.88 AHR (0.35) AHR
SCHEMBL6806233 0.84
SCHEMBL9667405 0.83 MAPK1 (0.39) AHRCYP1A2CYP2A6MCL1TDP2
SCHEMBL2430752 0.83 TXN (0.34) MAOBCNR1TSHR
SCHEMBL15287226 0.83 AHR (0.31) AHR
SCHEMBL21143011 0.82 TDP2 (0.41) AHRTDP2
SCHEMBL246786 0.82 CYP1A2 (0.42) ALOX5CYP1A2LMNACYP2A6MCL1
SCHEMBL2050957 0.81 CYP11B2 (0.37) AHRNOTUM
SCHEMBL27486807 0.80 CYP1A2 (0.41) ALOX5CYP1A2LMNACYP2A6MCL1
SCHEMBL693803 0.79 ERCC1 (0.41) AHRTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US claimed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP 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
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20150045217-A1 Herbicidally and Insecticidally Active Thiazolopyridinones BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-02-12 US 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
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP disclosed
US-4946493-A FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-07 US disclosed
US-4845250-A FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-04 US disclosed
US-4507140-A GALLIUM ARSENIDE DOPED WITH GERMANIUM AND TELLURIUM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-26 US disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 ALOX5 1933/4885AHR 1503/4885CYP1A2 104/4885
US-20150045217-A1 Herbicidally and Insecticidally Active Thiazolopyridinones CBR3, DDT, CBR1 ALOX5 3090/4885AHR 391/4885CYP1A2 121/4885

“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.