SCHEMBL17110772

SCHEMBL17110772

Cn1ccnc1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL17111047 0.78 RAB9A (0.48) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL17110778 0.77 NPC1 (0.37) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL17110770 0.76 MCL1 (0.37) NPC1RAB9APKMPOLBHTT
SCHEMBL15862982 0.73 RAB9A (0.48) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL17844121 0.73 MALT1 (0.35) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL17111041 0.72 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL3728805 0.71 LRRK2 (0.41) NPC1RAB9AKMT2AMALT1MCL1
SCHEMBL25328877 0.70 TRPA1 (0.44) SMN1; SMN2ALDH1A1KDM4ERXFP1MCL1
SCHEMBL18624694 0.70 RAB9A (0.46) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL15868286 0.70 RAB9A (0.46) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122737-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-26 EP disclosed
US-9988366-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-06-05 US disclosed
US-9988366-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-06-05 US disclosed
US-9988366-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2018-06-05 US disclosed
WO-2018041729-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-08 WO disclosed
WO-2018041729-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-08 WO disclosed
US-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
US-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
US-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-04-20 US disclosed
EP-3122737-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-02-01 EP disclosed
WO-2015144895-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-01 WO disclosed
WO-2015144895-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-10-01 WO 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 (1 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-20170107201-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 NPC1 2631/4885RAB9A 1702/4885SMN1; SMN2 330/4885

“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.