SCHEMBL10140140

SCHEMBL10140140

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.39
PDE4A P27815 3/20 0.38
KCNH2 Q12809 2/20 0.37
MAPT P10636 4/20 0.37
DHODH Q02127 1/20 0.36
CAPN1 P07384 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL782222 0.92 DHODH (0.43) SORT1PDE4AKCNH2MAPTDHODH
SCHEMBL10140151 0.91 PDE4A (0.38) SORT1PDE4AKCNH2MAPTDHODH
SCHEMBL10140172 0.91 DHODH (0.38) SORT1PDE4AKCNH2MAPTDHODH
SCHEMBL10140148 0.90 SORT1 (0.41) SORT1MAPTDHODHKDM4EPKM
SCHEMBL10140135 0.89 CARM1 (0.37) SORT1PDE4AKCNH2MAPTKDM4E
SCHEMBL10140235 0.89 PDE4A (0.36) SORT1PDE4AKCNH2DHODHCAPN1
SCHEMBL10140214 0.86 DHODH (0.40) SORT1PDE4AKCNH2MAPTDHODH
SCHEMBL16639217 0.85 DHODH (0.42) SORT1PDE4AKCNH2MAPTDHODH
SCHEMBL782232 0.85 DHODH (0.43) PDE4AKCNH2MAPTDHODHCAPN1
SCHEMBL782462 0.85 DHODH (0.38) SORT1PDE4AKCNH2MAPTDHODH

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 SORT1 545/4885PDE4A 504/4885KCNH2 499/4885
US-20130210625-A1 SPIROHETEROCYCLIC PYRROLIDINE DERIVATIVES BASED PESTICIDES DDT, PYCR1, PKD2 SORT1 3180/4885PDE4A 814/4885KCNH2 314/4885
US-20160302414-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, CASP3 SORT1 4824/4885PDE4A 937/4885KCNH2 1460/4885
US-20070265267-A1 FUNGICIDAL COMPOSITIONS CRY1, ERG28, DDT SORT1 2817/4885PDE4A 3336/4885KCNH2 28/4885
US-20070244121-A1 Synergistic Fungicidal Compositions DDT, CRY1, HCN1 SORT1 2972/4885PDE4A 3034/4885KCNH2 21/4885
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic BROX, EPM2A, MANBA SORT1 639/4885PDE4A 1356/4885KCNH2 2158/4885
US-20170071205-A1 FUNGICIDAL COMPOSITIONS PIK3C3, CYP51A1, CYP1B1 SORT1 545/4885PDE4A 504/4885KCNH2 499/4885
US-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C SORT1 2459/4885PDE4A 3169/4885KCNH2 97/4885

“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.