SCHEMBL3457531

SCHEMBL3457531

CN1CCN(C=NC#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL2177319 0.78
SCHEMBL2172205 0.76 HTT (0.38) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL2175184 0.76 HTT (0.38) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL2176255 0.73 HTT (0.41) SMN1; SMN2RAB9AALDH1A1NPC1MAPK1
SCHEMBL3459016 0.67
SCHEMBL8566636 0.64
SCHEMBL354172 0.64 CYP1A2 (0.44) ALDH1A1KDM4EKMT2A
Water SCHEMBL4608135 0.64
SCHEMBL15503362 0.63 GPR119 (0.38)
SCHEMBL30901419 0.62 LMNA (0.33) SMN1; SMN2ALDH1A1KDM4EMEN1GLA

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-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 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-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 SMN1; SMN2 4463/4885RAB9A 2818/4885ALDH1A1 497/4885

“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.