SCHEMBL10140191

SCHEMBL10140191

Cc1cccnc1-n1nc(OCC(F)(F)F)cc1C(=O)Nc1c(C)cc(Cl)cc1C(=O)NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
CAPN1 P07384 1/20 0.33
DHODH Q02127 3/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
EIF2S1 P05198 1/20 0.32
EIF2AK3 Q9NZJ5 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.31
CSF1R P07333 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL782139 0.94 DHODH (0.33) EPHX2CAPN1DHODHRECQLTRPV1
SCHEMBL10140194 0.92 EPHX2 (0.35) EPHX2TRPV1MALT1NPC1RAB9A
SCHEMBL10140160 0.89 CARM1 (0.37) MEN1KMT2AALDH1A1MAPT
SCHEMBL28498417 0.87 DGAT2 (0.32) DHODHMALT1
SCHEMBL782239 0.86 EPHX2 (0.35) EPHX2DHODHTRPV1MALT1ALDH1A1
SCHEMBL10140185 0.86 RECQL (0.36) CAPN1RECQLKMT2ATRPV1MALT1
SCHEMBL12574960 0.85 DHODH (0.35) EPHX2DHODHTRPV1MALT1
SCHEMBL31060020 0.85 SLC2A1 (0.36) EPHX2DHODHTRPV1MALT1RAB9A
SCHEMBL12117068 0.85 WDR5 (0.33) CAPN1DHODHMALT1EIF2S1EIF2AK3
SCHEMBL10140172 0.84 DHODH (0.38) CAPN1DHODHRECQLKMT2ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949482-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2018-04-24 US disclosed
US-20170071205-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2017-03-16 US disclosed
US-9538755-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2017-01-10 US disclosed
US-20160302414-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2016-10-20 US disclosed
US-9282743-B2 Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-03-15 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20140051736-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2014-02-20 US disclosed
US-8536089-B2 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION LLC (US) 2013-09-17 US disclosed
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 US disclosed
US-8124567-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, INC. (US) 2012-02-28 US disclosed
US-8124566-B2 Synergistic fungicidal compositions SYNGENTA CROP PROTECTION, INC. (US) 2012-02-28 US disclosed
US-20080076664-A1 Fungicidal Compositions SYNGENTA CROP PROTECTION, INC. 2008-03-27 US disclosed
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION, INC. (US) 2008-03-20 US disclosed
US-20070265267-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2007-11-15 US disclosed
US-20070244121-A1 Synergistic Fungicidal Compositions SYNGENTA CROP PROTECTION, INC. (US) 2007-10-18 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 (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-20140051736-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 EPHX2 838/4885CAPN1 965/4885DHODH 874/4885
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 EPHX2 1113/4885CAPN1 249/4885DHODH 248/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 EPHX2 703/4885CAPN1 2016/4885DHODH 1693/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT EPHX2 2443/4885CAPN1 2292/4885DHODH 2433/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 EPHX2 2380/4885CAPN1 2102/4885DHODH 1980/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA EPHX2 916/4885CAPN1 865/4885DHODH 2383/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 EPHX2 838/4885CAPN1 965/4885DHODH 874/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C EPHX2 1361/4885CAPN1 2235/4885DHODH 717/4885

“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.