SCHEMBL438859

SCHEMBL438859

Cn1nc(C(F)F)c(C(=O)N(Cc2ccccc2[Si](C)(C)C)C2CC2)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL15648591 0.89 RAB9A (0.40) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL441106 0.88 ALDH1A1 (0.35) OPRM1ALDH1A1MEN1KMT2A
SCHEMBL15525062 0.87 CHRM2 (0.40) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL12710329 0.87 GPBAR1 (0.40) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL13723227 0.86 SLC6A2 (0.44) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL13731461 0.86 SLC6A2 (0.43) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL16336161 0.86 RAB9A (0.40) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL29368410 0.86 SLC6A2 (0.43) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL13724272 0.85 SLC6A2 (0.38) OPRM1RAB9ATSHRALDH1A1GPBAR1
SCHEMBL17431025 0.85 AGER (0.46) OPRM1RAB9AGPBAR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908641-B1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-01-10 EP claimed
US-9668480-B2 Method for treating plants against fungi resistant to fungicides using carboxamide or thiocarboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-06-06 US claimed
US-20150264927-A1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-24 US claimed
EP-2908641-A1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP claimed
WO-2014060520-A1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO claimed
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 EP disclosed
EP-2908641-B1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-01-10 EP disclosed
CN-107540615-A fungicide pyrazole carboxamides derivatives 拜尔农科股份公司 2018-01-05 CN disclosed
CN-102421757-B Fungicide pyrazole carboxamide derivatives 拜尔农科股份公司 2017-10-24 CN disclosed
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-9668480-B2 Method for treating plants against fungi resistant to fungicides using carboxamide or thiocarboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-06-06 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 US disclosed
WO-2014060520-A1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
CN-102421757-A Fungicide pyrazole carboxamide derivatives BAYER CROPSCIENCE AG 2012-04-18 CN disclosed
EP-2430000-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2012-03-21 EP disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US disclosed
WO-2010130767-A2 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-18 WO disclosed
EP-2251331-A1 Fungicide pyrazole carboxamides derivatives Bayer CropScience AG (DE) 2010-11-17 EP 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 (4 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-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 OPRM1 3389/4885RAB9A 3110/4885TSHR 1515/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 OPRM1 3389/4885RAB9A 3110/4885TSHR 1515/4885
US-20150264927-A1 METHOD FOR TREATING PLANTS AGAINST FUNGI RESISTANT TO FUNGICIDES USING CARBOXAMIDE OR THIOCARBOXAMIDE DERIVATIVES SDHA, TPI1, CBR3 OPRM1 4857/4885RAB9A 3062/4885TSHR 3047/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 OPRM1 3718/4885RAB9A 3223/4885TSHR 1514/4885

“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.