SCHEMBL441106

SCHEMBL441106

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.35
OPRM1 P35372 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGAM O43451 1/20 0.31

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
SCHEMBL438859 0.88 OPRM1 (0.40) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL441232 0.87 OPRM1 (0.36) ALDH1A1OPRM1MEN1KMT2AL3MBTL1
SCHEMBL13731654 0.86 SLC6A2 (0.39) ALDH1A1OPRM1L3MBTL1
SCHEMBL12710329 0.77 GPBAR1 (0.40) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL15648591 0.77 RAB9A (0.40) ALDH1A1OPRM1MEN1KMT2AL3MBTL1
SCHEMBL28922875 0.76 SLC6A2 (0.35) ALDH1A1
SCHEMBL29368410 0.74 SLC6A2 (0.43) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL13723227 0.74 SLC6A2 (0.44) ALDH1A1OPRM1
SCHEMBL13731461 0.74 SLC6A2 (0.43) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL16336161 0.74 RAB9A (0.40) ALDH1A1OPRM1MEN1KMT2ASMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000809-B1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER IP GMBH (DE) 2018-10-31 EP disclosed
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-9398767-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-26 US disclosed
EP-3000809-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES Bayer Intellectual Property GmbH (DE) 2016-03-30 EP disclosed
EP-2430000-B1 Fungicide pyrazole carboxamide derivates BAYER IP GMBH (DE) 2015-11-04 EP 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
CN-102421757-A Fungicide pyrazole carboxamide derivatives BAYER CROPSCIENCE AG 2012-04-18 CN disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US 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 (3 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 ALDH1A1 4202/4885OPRM1 3389/4885MEN1 2227/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 ALDH1A1 4202/4885OPRM1 3389/4885MEN1 2227/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 ALDH1A1 4241/4885OPRM1 3718/4885MEN1 1717/4885

“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.