SCHEMBL10140135

SCHEMBL10140135

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.37
SORT1 Q99523 1/20 0.36
PDE4A P27815 2/20 0.36
TP53 P04637 1/20 0.35
KLKB1 P03952 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
KCNH2 Q12809 1/20 0.35
CRACR2A Q9BSW2 2/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL782481 0.93 DHODH (0.36) CARM1PDE4AKLKB1KDM4EMEN1
SCHEMBL10140139 0.91 CARM1 (0.38) CARM1SORT1TP53KLKB1KDM4E
SCHEMBL10140160 0.90 CARM1 (0.37) CARM1TP53KLKB1KDM4EMEN1
SCHEMBL10140140 0.89 SORT1 (0.39) SORT1PDE4ATP53KDM4EALDH1A1
SCHEMBL10140202 0.88 KLKB1 (0.38) CARM1TP53KLKB1KDM4EMEN1
SCHEMBL10140151 0.87 PDE4A (0.38) SORT1PDE4ATP53KDM4EALDH1A1
SCHEMBL16639211 0.86 DHODH (0.35) CARM1KLKB1KDM4EMEN1ALDH1A1
SCHEMBL10140218 0.86 CARM1 (0.36) CARM1TP53KLKB1KDM4EMEN1
SCHEMBL10028773 0.85 DHODH (0.37) CARM1PDE4AKLKB1KDM4EMEN1
SCHEMBL672741 0.84 PDE4B (0.36) CARM1KLKB1KDM4EMEN1ALDH1A1

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 CARM1 2370/4885SORT1 545/4885PDE4A 504/4885
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 CARM1 1438/4885SORT1 3180/4885PDE4A 814/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 CARM1 3399/4885SORT1 4824/4885PDE4A 937/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT CARM1 832/4885SORT1 2817/4885PDE4A 3336/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 CARM1 1036/4885SORT1 2972/4885PDE4A 3034/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA CARM1 3494/4885SORT1 639/4885PDE4A 1356/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 CARM1 2370/4885SORT1 545/4885PDE4A 504/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C CARM1 2578/4885SORT1 2459/4885PDE4A 3169/4885

“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.