SCHEMBL10140197

SCHEMBL10140197

CNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cc(Br)nn1-c1ncccc1C

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
TRPV1 Q8NER1 1/20 0.35
SORT1 Q99523 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34
NTRK1 P04629 4/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
PSD A5PKW4 1/20 0.33

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
SCHEMBL10140180 0.94 DHODH (0.40) DHODHTRPV1SORT1KMT2AL3MBTL1
SCHEMBL782140 0.93 DHODH (0.42) DHODHKMT2ANTRK1EPHX2MALT1
SCHEMBL10140227 0.91 TRPV1 (0.36) DHODHTRPV1KMT2AL3MBTL1PPARG
SCHEMBL10140214 0.90 DHODH (0.40) DHODHTRPV1SORT1MALT1
Chlorantraniliprole SCHEMBL29363261 0.89 DHODH (0.44) DHODHTRPV1NTRK1RAB9ANPC1
Chlorantraniliprole SCHEMBL29551 0.89 DHODH (0.44) DHODHTRPV1NTRK1RAB9ANPC1
SCHEMBL14227755 0.89 DHODH (0.40) DHODHSORT1KMT2APPARGMALT1
SCHEMBL15187946 0.87 SCN9A (0.32) DHODHKMT2AL3MBTL1
SCHEMBL10140216 0.86 PDE4B (0.37) KMT2AMALT1
SCHEMBL28517966 0.86 DHODH (0.41) DHODHKMT2ANTRK1EPHX2MALT1

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-8124566-B2 Synergistic fungicidal compositions SYNGENTA CROP PROTECTION, INC. (US) 2012-02-28 US disclosed
US-8124567-B2 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 DHODH 874/4885TRPV1 2857/4885SORT1 545/4885
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 DHODH 248/4885TRPV1 295/4885SORT1 3180/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 DHODH 1693/4885TRPV1 1248/4885SORT1 4824/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT DHODH 2433/4885TRPV1 1660/4885SORT1 2817/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 DHODH 1980/4885TRPV1 1081/4885SORT1 2972/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA DHODH 2383/4885TRPV1 3772/4885SORT1 639/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 DHODH 874/4885TRPV1 2857/4885SORT1 545/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C DHODH 717/4885TRPV1 2728/4885SORT1 2459/4885

“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.