SCHEMBL4386341

SCHEMBL4386341

CC1(C)CC(SCc2c(F)cccc2C(F)(F)F)=NO1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31
PIEZO1 Q92508 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
FABP4 P15090 1/20 0.30
CYP3A4 P08684 1/20 0.30
CD38 P28907 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3104128 0.88 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL5281859 0.82 MEN1 (0.49) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL4398070 0.81 CDC7 (0.39) ALDH1A1PIEZO1
SCHEMBL4385761 0.77 CXCR2 (0.40)
SCHEMBL4396806 0.77 NPC1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4436678 0.74
SCHEMBL3381068 0.74 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL3381582 0.73 PIEZO1 (0.35) PIEZO1
SCHEMBL4284684 0.72
SCHEMBL20855351 0.72 RAB9A (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799657-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2009-12-02 EP disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 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-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 SLC6A2 2006/4885SLC6A4 1470/4885P2RX7 173/4885

“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.