SCHEMBL4396806

SCHEMBL4396806

CC1(C)CC(SCc2ccccc2F)=NO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
CASP3 P42574 4/20 0.41
SENP8 Q96LD8 4/20 0.41
SENP7 Q9BQF6 4/20 0.41
SENP6 Q9GZR1 4/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 4/20 0.41
TSHR P16473 4/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4385761 0.89 CXCR2 (0.40)
SCHEMBL4389539 0.84 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2L3MBTL1HPGDTDP1
SCHEMBL3104128 0.84 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL4398088 0.83 TERT (0.39) NPC1RAB9ASMN1; SMN2KDM4EMETAP2
SCHEMBL4393093 0.80 NTRK1 (0.34)
SCHEMBL5281859 0.79 MEN1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL4386341 0.77 SLC6A2 (0.34) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL20855351 0.75 RAB9A (0.45) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL20870955 0.75 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL4398072 0.74

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 NPC1 4321/4885RAB9A 3117/4885SMN1; SMN2 4098/4885

“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.