SCHEMBL2180835

SCHEMBL2180835

Fc1[c]ncc(SC(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2177671 0.80 KDM4E (0.33) KDM4EALDH1A1TDP1KCNH2SMN1; SMN2
SCHEMBL2178456 0.78 KDM4E (0.32) KDM4EALDH1A1TDP1
SCHEMBL2179458 0.78 SMN1; SMN2 (0.36) KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL2180784 0.75
SCHEMBL2178772 0.74 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL2177934 0.74 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL2180177 0.72 PDE2A (0.31)
SCHEMBL2178140 0.72
SCHEMBL25340154 0.72 KDM4E (0.39) KDM4EALDH1A1TDP1KCNH2SMN1; SMN2
SCHEMBL2177422 0.71 PTPRZ1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 KDM4E 4261/4885ALDH1A1 2095/4885TDP1 4169/4885

“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.