SCHEMBL17110778

SCHEMBL17110778

CCSc1cc(C(F)(F)F)cnc1-c1nccn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
PKM P14618 1/20 0.32
HCRTR1 O43613 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
DDR1 Q08345 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL17111038 0.81 L3MBTL1 (0.41) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL18426031 0.80 ALDH1A1 (0.36) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL21895290 0.80 KMT2A (0.39) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL30772990 0.80 KMT2A (0.39) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL29755406 0.80 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HCRTR1
SCHEMBL18988970 0.80 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HCRTR1
SCHEMBL17133044 0.79 POLB (0.36) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL17110772 0.77 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL29431598 0.77 POLB (0.52) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL14677239 0.77 POLB (0.52) NPC1RAB9AKDM4EALDH1A1POLB

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 1702/4885KDM4E 2948/4885

“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.