SCHEMBL10140172

SCHEMBL10140172

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
PDE4A P27815 2/20 0.37
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
EIF2S1 P05198 2/20 0.34
EIF2AK3 Q9NZJ5 2/20 0.34
SORT1 Q99523 1/20 0.34
GRM4 Q14833 1/20 0.34
CAPN1 P07384 1/20 0.34
F10 P00742 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL10140214 0.94 DHODH (0.40) DHODHPDE4ARECQLKCNH2TRPV1
SCHEMBL782232 0.94 DHODH (0.43) DHODHPDE4ARECQLKCNH2ALDH1A1
SCHEMBL10140185 0.91 RECQL (0.36) PDE4ARECQLNPC1RAB9AKCNH2
SCHEMBL10140140 0.91 SORT1 (0.39) DHODHPDE4ANPC1RAB9AKCNH2
SCHEMBL10140180 0.90 DHODH (0.40) DHODHNPC1RAB9ATRPV1ALDH1A1
SCHEMBL10140160 0.87 CARM1 (0.37) ALDH1A1MAPTF10KMT2A
SCHEMBL16622530 0.87 DHODH (0.42) DHODHPDE4ANPC1RAB9AKCNH2
SCHEMBL10140235 0.87 PDE4A (0.36) DHODHPDE4AKCNH2PKMSORT1
SCHEMBL782222 0.87 DHODH (0.43) DHODHPDE4AKCNH2ALDH1A1POLB
SCHEMBL14361041 0.87 DHODH (0.43) DHODHPDE4AKCNH2ALDH1A1POLB

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 874/4885PDE4A 504/4885RECQL 2911/4885
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 DHODH 248/4885PDE4A 814/4885RECQL 3323/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 DHODH 1693/4885PDE4A 937/4885RECQL 1776/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT DHODH 2433/4885PDE4A 3336/4885RECQL 2258/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 DHODH 1980/4885PDE4A 3034/4885RECQL 1906/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA DHODH 2383/4885PDE4A 1356/4885RECQL 2468/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 DHODH 874/4885PDE4A 504/4885RECQL 2911/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C DHODH 717/4885PDE4A 3169/4885RECQL 2242/4885

“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.