SCHEMBL2177694

SCHEMBL2177694

CC(C)c1[c]ncc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
AGBL2 Q5U5Z8 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
SCHEMBL2176495 0.78
SCHEMBL1034476 0.74 AGBL2 (0.36) ALDH1A1AGBL2
SCHEMBL403256 0.71 ALDH1A1 (0.32) SMN1; SMN2KDM4EALDH1A1AGBL2
SCHEMBL2176119 0.71
SCHEMBL2120862 0.71 ALDH1A1 (0.32) SMN1; SMN2KDM4EALDH1A1AGBL2
SCHEMBL2177722 0.71
SCHEMBL2177580 0.71 RAB9A (0.32) SMN1; SMN2KDM4EAGBL2
SCHEMBL394514 0.69 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2179387 0.69 GABRA1 (0.31)
SCHEMBL20554214 0.69 ALDH1A1 (0.31) ALDH1A1

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 SMN1; SMN2 2625/4885KDM4E 4261/4885ALDH1A1 2095/4885

“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.