SCHEMBL5281859

SCHEMBL5281859

CC1(C)CC(SCc2c(F)cccc2Cl)=NO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 5/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 3/20 0.42
BLM P54132 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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 0.91 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL3109118 0.91 HPGD (0.39) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4386341 0.82 SLC6A2 (0.34) MEN1KMT2ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL4385761 0.79 CXCR2 (0.40)
SCHEMBL4396806 0.79 NPC1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL3381068 0.76 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2KDM4ECYP1A2
SCHEMBL5289822 0.75 KDM4E (0.47) MEN1KMT2AKDM4EHSD17B10MAPT
SCHEMBL4398088 0.74 TERT (0.39) SMN1; SMN2KDM4ECYP1A2CYP2C19HSD17B10
SCHEMBL20855351 0.74 RAB9A (0.45) MEN1KMT2ASMN1; SMN2MAPTGFER
SCHEMBL20870955 0.73 SMN1; SMN2 (0.32) SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2007-07-12 US disclosed
WO-2007003294-A1 3-[1-HALO-1-ARYL-METHANE-SULFONYL]- AND 3-[1-HALO-1-HETEROARYL-METHANE-SULFONYL]-ISOXAZOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-01-11 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-20070161513-A1 3-[1-halo-1-arylmethanesulfonyl]- and 3-[1-halo-1-heteroarylmethanesulfonyl]- isoxazoline derivatives, processes for preparing them, and use as herbicides and plant growth regulators HDHD5, HAX1, OSR1 MEN1 4497/4885KMT2A 1930/4885SMN1; SMN2 4832/4885

“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.