SCHEMBL435264

SCHEMBL435264

Clc1ccc(-c2ccc[c]c2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
AHR P35869 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CYP2A6 P11509 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL3978906 0.86 CYP2A6 (0.50) CYP1A2PTGS2PTGS1ALDH1A2ALDH1A3
SCHEMBL4281566 0.84 CYP2A6 (0.48) CYP1A2PTGS2ALDH1A2ALDH1A3CYP2A6
SCHEMBL5584101 0.83 IDO1 (0.32) CYP2A6
SCHEMBL2430751 0.83 PTGS2 (0.39) PTGS2PTGS1SLC6A4SLC6A3ALDH1A3
SCHEMBL4394322 0.83 CYP2A6 (0.32) CYP2A6
SCHEMBL6881481 0.83 HPGD (0.36) CYP2A6KDM4EALDH1A1NPC1RAB9A
SCHEMBL4653269 0.83 CYP1A2 (0.39) CYP1A2PTGS2PTGS1AHRSLC6A4
SCHEMBL9667400 0.83 MAPK1 (0.39) CYP1A2SLC6A3CYP2A6LMNAKDM4E
SCHEMBL11514621 0.83 CYP3A4 (0.40) PTGS2PTGS1CYP2A6ALDH1A1TP53
SCHEMBL11746658 0.81 CYP1A2 (0.38) CYP1A2PTGS2PTGS1AHRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4335142-A MICROBIOCIDES UNIROYAL, INC. (US) 1982-06-15 US 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
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO 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-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 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
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed
CN-1262679-A IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA NV (BE) 2000-08-09 CN 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-4820704-A Pyridazinone derivatives and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1989-04-11 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 (1 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-20150045217-A1 Herbicidally and Insecticidally Active Thiazolopyridinones CBR3, DDT, CBR1 CYP1A2 121/4885PTGS2 1811/4885PTGS1 1080/4885

“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.