SCHEMBL939259

SCHEMBL939259

Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(CCl)C2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12945318 0.89 GAA (0.31) ALDH1A1LMNAGAA
SCHEMBL3736237 0.88 ALDH1A1 (0.39) ALDH1A1LMNACYP2C19CYP2C9CYP2D6
SCHEMBL12945286 0.88 GAA (0.31) GAA
SCHEMBL12945220 0.88 ALDH1A1 (0.33) ALDH1A1LMNACYP2C19CYP2C9CYP2D6
SCHEMBL938719 0.88
SCHEMBL12945302 0.87 L3MBTL1 (0.31) ALDH1A1LMNAGAAL3MBTL1
SCHEMBL12945686 0.87
SCHEMBL12945314 0.86
SCHEMBL12945214 0.86 GAA (0.32) ALDH1A1LMNAGAA
SCHEMBL940413 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP disclosed
US-20040259734-A1 Izoxazoline derivative and herbicide IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-23 US disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP 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-20040259734-A1 Izoxazoline derivative and herbicide HCN4, HDHD5, KCNJ1 ALDH1A1 621/4885LMNA 4793/4885CYP2C19 1057/4885

“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.