SCHEMBL12726643

SCHEMBL12726643

NC(F)Cn1ccc(=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
TYR P14679 1/20 0.35
DOHH Q9BU89 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL13339153 0.74 KDM4E (0.63) TYRDOHHKDM4E
SCHEMBL9813218 0.65 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL17233963 0.65
SCHEMBL666590 0.64
SCHEMBL9813226 0.64 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL4602946 0.62 CA12 (0.51) SMN1; SMN2TYRDOHHKDM4E
SCHEMBL6302015 0.61 NPC1 (0.42) SMN1; SMN2KDM4E
SCHEMBL4375225 0.61 CA12 (0.47) SMN1; SMN2KDM4E
SCHEMBL276358 0.61 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL9602409 0.59

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-7919521-B2 Five-membered iminocyclitol derivatives as selective and potent glycosidase inhibitors: new structures for antivirals and osteoarthritis therapeutics ACADEMIA SINICA (TW) 2011-04-05 US disclosed
US-20090306174-A1 Novel Five-Membered Iminocyclitol Derivatives as Selective and Potent Glycosidase Inhibitors: New Structures for Antivirals and Osteoarthritis Therapeutics ACADEMIA SINICA (TW) 2009-12-10 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-20090306174-A1 Novel Five-Membered Iminocyclitol Derivatives as Selective and Potent Glycosidase Inhibitors: New Structures for Antivirals and Osteoarthritis Therapeutics ACE2, ENGASE, DPP7 SMN1; SMN2 239/4885TYR 2094/4885DOHH 704/4885

“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.