SCHEMBL4398070

SCHEMBL4398070

CC1(C)CC(SCc2ccccc2C(F)(F)F)=NO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
PIEZO1 Q92508 1/20 0.39
KDM1A O60341 1/20 0.36
IDO1 P14902 2/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
AR P10275 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 1/20 0.32
BRD4 O60885 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
SCHEMBL3381582 0.84 PIEZO1 (0.35) PIEZO1
SCHEMBL4396806 0.82 NPC1 (0.41) KDM4EALDH1A1NPSR1
SCHEMBL4393093 0.82 NTRK1 (0.34)
SCHEMBL4386341 0.81 SLC6A2 (0.34) PIEZO1ALDH1A1
SCHEMBL4389539 0.81 SMN1; SMN2 (0.41) ALDH1A1
SCHEMBL28344856 0.76 IDO1 (0.33) IDO1
SCHEMBL3104128 0.72 ALDH1A1 (0.40) KDM4EALDH1A1NPSR1
SCHEMBL4282530 0.71 ULK1 (0.30)
SCHEMBL28702630 0.71 HTT (0.42) ALDH1A1NPSR1
SCHEMBL4436678 0.70

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 CDC7 2085/4885DBF4 2980/4885PIEZO1 4432/4885

“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.