SCHEMBL2430752

SCHEMBL2430752

Fc1ccc(-c2cc[c]c(Cl)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CNR1 P21554 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
PGR P06401 1/20 0.33
AGXT P21549 1/20 0.33
PIK3CA P42336 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP4K4 O95819 1/20 0.33
PTGS2 P35354 1/20 0.33
NR3C1 P04150 1/20 0.32

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 0.84 AHR (0.35)
SCHEMBL2011823 0.83 PGR (0.33) PGRMAP4K4
SCHEMBL435265 0.83 ALOX5 (0.45) CNR1TSHRMAOB
SCHEMBL21143011 0.82 TDP2 (0.41) PGRPTGS2NR3C1
SCHEMBL2050957 0.82 CYP11B2 (0.37) CYP11B1CYP11B2PGRESR2
SCHEMBL6806233 0.80
SCHEMBL2429100 0.80 TAAR1 (0.46) CYP11B1CYP11B2TAAR1ESR2
SCHEMBL693803 0.80 ERCC1 (0.41) PGRPTGS2NR3C1
SCHEMBL15287226 0.79 AHR (0.31)
SCHEMBL9667405 0.79 MAPK1 (0.39) TP53

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 15 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
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-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
WO-2013144096-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE THIAZOLOPYRIDINONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 WO disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 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-5104438-A N-OXOAZOLYLMETHYLOXIRANES AND FUNGICIDES AND BIOREGULATORS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
US-4216232-A Pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1980-08-05 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 TXN 1866/4885HTR1A 419/4885HTR7 1145/4885
US-20150045217-A1 Herbicidally and Insecticidally Active Thiazolopyridinones CBR3, DDT, CBR1 TXN 279/4885HTR1A 2465/4885HTR7 2324/4885

“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.