SCHEMBL2369904

SCHEMBL2369904

Cc1cc(C(=O)/C=C(\c2cc(Cl)cc(Cl)c2)C(F)(F)F)ccc1C(=O)NC1CSC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 1/20 0.35
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TTK P33981 3/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
F10 P00742 1/20 0.32
SLC6A12 P48065 1/20 0.31
PTK2 Q05397 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
SCHEMBL2369347 1.00 NPC1 (0.37) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL2369342 1.00 NPC1 (0.37) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL2395033 0.87 NPC1 (0.33) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL15881932 0.87 NPC1 (0.33) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL2395044 0.87 GLA (0.39) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL2395035 0.87 GLA (0.39) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL15881933 0.87 NPC1 (0.33) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL2395043 0.87 NPC1 (0.33) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL12291125 0.85 GLA (0.33) NPC1RAB9AHPGDGRM5ALDH1A1
SCHEMBL14856066 0.81 FLT1 (0.31) ALDH1A1LMNAGAATTKFLT1

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
EP-3190110-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-12 EP disclosed
EP-3190110-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-07-12 EP disclosed
EP-2755969-B1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-18 EP disclosed
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
EP-2539335-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-21 EP disclosed
US-9078444-B2 Isothiazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-07-14 US disclosed
US-9078444-B2 Isothiazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-07-14 US disclosed
US-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
US-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-07-24 US disclosed
EP-2539335-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2013-01-02 EP disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 WO disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 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 (2 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-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS CBR3, C1S, HRH2 NPC1 1072/4885RAB9A 219/4885HPGD 2335/4885
US-20140206633-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES CYP1A2, CHRM1, CYP1A1 NPC1 3640/4885RAB9A 2340/4885HPGD 613/4885

“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.