SCHEMBL1979983

SCHEMBL1979983

O=C(CCl)C1=NOC(c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.41
MAPK1 P28482 1/20 0.41
GSK3B P49841 1/20 0.41
HIF1A Q16665 1/20 0.41
PTPN1 P18031 2/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
YAP1 P46937 1/20 0.38
TEAD4 Q15561 1/20 0.38
LMNA P02545 2/20 0.37
S1PR1 P21453 1/20 0.36
FAAH O00519 6/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL18010262 0.87 GSK3B (0.42) TSHRALDH1A1MAPK1GSK3BHIF1A
SCHEMBL3680890 0.85 TSHR (0.47) TSHRALDH1A1GSK3BPTPN1PPARG
SCHEMBL27995744 0.85 TSHR (0.50) TSHRPTPN1PPARGPPARASMN1; SMN2
SCHEMBL19270341 0.85 TSHR (0.50) TSHRPTPN1PPARGPPARASMN1; SMN2
SCHEMBL3689235 0.85 TSHR (0.47) TSHRALDH1A1GSK3BPTPN1PPARG
SCHEMBL3665372 0.84 PPARG (0.35) TSHRPTPN1PPARGPPARASCN9A
SCHEMBL3679687 0.82 TSHR (0.57) TSHRALDH1A1PTPN1PPARGPPARA
SCHEMBL167443 0.82 TSHR (0.57) TSHRALDH1A1PTPN1PPARGPPARA
SCHEMBL3724306 0.81 BRD4 (0.36) ALDH1A1TRPA1MAPK1GSK3BHIF1A
SCHEMBL12906739 0.80 TSHR (0.50) TSHRALDH1A1PTPN1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604495-B2 Process for preparing substituted phenylisoxazoline derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-31 US disclosed
EP-3265446-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-14 EP disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
US-10189799-B2 Process for preparing substituted phenylisoxazoline derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20190016691-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-17 US disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
US-20180030002-A1 Process for preparing substituted phenylisoxazoline derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 US disclosed
US-20180030002-A1 Process for preparing substituted phenylisoxazoline derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 US disclosed
EP-3239145-A1 1-[2-[3,5-SUBSTITUTED-1H-PYRAZOL-1-YL]ACETYL]-4-PIPERIDINE-CARBONITRILE AND -CARBOTHIAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-20130045948-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-21 US disclosed
EP-2509978-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E.I. Du Pont De Nemours And Company (US) 2012-10-17 EP disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 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 (7 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-10189799-B2 Process for preparing substituted phenylisoxazoline derivatives CYP3A7, CYP3A4, CYP4X1 TSHR 2285/4885ALDH1A1 1036/4885TRPA1 3335/4885
US-20130045948-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, NCEH1 TSHR 2095/4885ALDH1A1 386/4885TRPA1 2791/4885
US-10604495-B2 Process for preparing substituted phenylisoxazoline derivatives CYP3A7, CYP3A4, CYP4X1 TSHR 2285/4885ALDH1A1 1036/4885TRPA1 3335/4885
US-20190016691-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLISOXAZOLINE DERIVATIVES CYP3A7, CYP3A4, CYP4X1 TSHR 2285/4885ALDH1A1 1036/4885TRPA1 3335/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 TSHR 2769/4885ALDH1A1 440/4885TRPA1 1760/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 TSHR 3187/4885ALDH1A1 999/4885TRPA1 3280/4885
US-20180030002-A1 Process for preparing substituted phenylisoxazoline derivatives CYP3A7, CYP3A4, CYP4X1 TSHR 2285/4885ALDH1A1 1036/4885TRPA1 3335/4885

“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.