SCHEMBL3154381

SCHEMBL3154381

Cc1nn(C)c(OCC(F)(F)F)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.35
NR3C1 P04150 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 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
SCHEMBL4165780 0.84 CYP1A2 (0.36) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL28458714 0.81 CACNA1G (0.31) SMN1; SMN2
SCHEMBL803151 0.78 POLB (0.36) NR3C1POLBPKM
SCHEMBL4682271 0.74 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL28757929 0.73 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL3158933 0.73 SMN1; SMN2 (0.36) SMN1; SMN2NR3C1POLBPKM
SCHEMBL13243038 0.72 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL5369514 0.70 LMNA (0.36) SMN1; SMN2LMNAPOLBALDH1A1GAA
SCHEMBL9671822 0.70 HTT (0.33) SMN1; SMN2CYP1A2CYP2C9GAA
SCHEMBL9672831 0.70 HTT (0.33) SMN1; SMN2CYP1A2CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680290-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US disclosed
US-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA LIMITED (GB) 2008-06-12 US 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-20080139390-A1 Isoxazoline Derivatives and Their Use as Herbicides MTX1, MTX2, CHRM1 SMN1; SMN2 3441/4885CYP1A2 21/4885CYP2C9 69/4885

“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.