SCHEMBL232894

SCHEMBL232894

Cn1cc(C(=O)Nc2ccc(F)cc2OC(F)(F)C(F)C(F)(F)F)c(C(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
DHODH Q02127 7/20 0.41
GPR6 P46095 3/20 0.40
MRGPRX1 Q96LB2 2/20 0.39
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL29419142 1.00 RECQL (0.41) RECQLDHODHGPR6MRGPRX1LMNA
SCHEMBL19458056 0.95 TSHR (0.42) RECQLDHODHGPR6MRGPRX1ALOX15
SCHEMBL374012 0.90 RECQL (0.43) RECQLDHODHLMNAALOX15MEN1
SCHEMBL2907876 0.89 MRGPRX1 (0.38) DHODHGPR6MRGPRX1ALOX15MEN1
SCHEMBL17673099 0.87 RECQL (0.39) RECQLDHODHMRGPRX1ALOX15MEN1
SCHEMBL21638776 0.86 DHODH (0.39) DHODHGPR6MRGPRX1LMNAMAPT
SCHEMBL17510947 0.84 MEN1 (0.38) RECQLDHODHGPR6MRGPRX1LMNA
SCHEMBL68046 0.83 TSHR (0.49) DHODHLMNAMEN1KMT2AMAPT
SCHEMBL29419112 0.83 TSHR (0.49) DHODHLMNAMEN1KMT2AMAPT
SCHEMBL28990887 0.82 DHODH (0.41) DHODHGPR6MRGPRX1LMNA

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 1040 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
EP-3395171-A1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-31 EP claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP claimed
US-20180103640-A1 PROCESS FOR IMPROVING SEEDLING GROWTH AND/OR EARLY EMERGENCE OF CROPS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US claimed
US-20170265470-A1 Anthranilamides in combination with fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-09-21 US claimed
US-9642363-B2 N-arylamidine-substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2017-05-09 US claimed
US-20160278386-A1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE FROM THE GROUP CONSISTING OF INHIBITORS OF THE RESPIRATORY CHAIN AT COMPLEX I OR II BAYER CROPSCIENCE AG (DE) 2016-09-29 US claimed
US-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-26 US claimed
US-20160130240-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-12 US claimed
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US claimed
JP-2011509971-A 2011-03-31 JP claimed
US-20110064827-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-03-17 US claimed
US-20110052555-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-03-03 US claimed
US-20110033433-A1 Combinations of Fungicidally Active Yeast and Fungicides BAYER CROPSCIENCE AG (DE) 2011-02-10 US claimed
US-20110009267-A1 Process for Improving Seedling Growth and/or Early Emergence of Crops BAYER CROPSCIENCE AG (DE) 2011-01-13 US claimed
EP-2272345-A1 Process for improving seedling growth and/or early emergence of crops Bayer CropScience AG (DE) 2011-01-12 EP claimed
EP-2269454-A1 Combinations of fungicidally active yeast and fungicides Bayer CropScience AG (DE) 2011-01-05 EP claimed
EP-2234489-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2010-10-06 EP claimed
WO-2009090181-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2009-07-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20110064827-A1 Active compound combinations TST, DPM1, DDT RECQL 3288/4885DHODH 40/4885GPR6 4846/4885
US-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX RECQL 3498/4885DHODH 124/4885GPR6 4174/4885
US-20180103640-A1 PROCESS FOR IMPROVING SEEDLING GROWTH AND/OR EARLY EMERGENCE OF CROPS EEF1A1, BTF3, EEF1A2 RECQL 2684/4885DHODH 1308/4885GPR6 2930/4885
US-20160130240-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES ARSA, SQOR, AHR RECQL 3889/4885DHODH 977/4885GPR6 4012/4885
US-20110009267-A1 Process for Improving Seedling Growth and/or Early Emergence of Crops EEF1A1, BTF3, EEF1A2 RECQL 2684/4885DHODH 1308/4885GPR6 2930/4885
US-20110052555-A1 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE DDT, TH, PRDX5 RECQL 4002/4885DHODH 1935/4885GPR6 4747/4885
US-20160145235-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES ARSA, SQOR, AHR RECQL 3718/4885DHODH 803/4885GPR6 3704/4885
US-20170265470-A1 Anthranilamides in combination with fungicides AADAC, ANTXR2, CYP51A1 RECQL 3701/4885DHODH 815/4885GPR6 4524/4885

“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.