SCHEMBL4698569

SCHEMBL4698569

NC(=O)C1CCN(OCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 1/20 0.48
PREP P48147 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
PKM P14618 1/20 0.39
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL23163150 0.88 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19PREPNPC1RAB9A
SCHEMBL3103654 0.83 PREP (0.43) SMN1; SMN2CYP2C19PREPNPC1RAB9A
SCHEMBL13244922 0.80 ALDH1A1 (0.44) SMN1; SMN2CYP2C19PREPNPC1RAB9A
SCHEMBL4701620 0.80 ALDH1A1 (0.44) SMN1; SMN2CYP2C19PREPNPC1RAB9A
SCHEMBL7845558 0.80 ALDH1A1 (0.44) SMN1; SMN2CYP2C19PREPNPC1RAB9A
SCHEMBL4700147 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19PREPNPC1RAB9A
Hydrochloric Acid SCHEMBL4701828 0.78 ALDH1A1 (0.43) SMN1; SMN2CYP2C19PREPALDH1A1
Hydrochloric Acid SCHEMBL4700390 0.78 ALDH1A1 (0.43) SMN1; SMN2CYP2C19PREPALDH1A1
SCHEMBL27286630 0.78 ALDH1A1 (0.45) PREPALDH1A1
SCHEMBL7842024 0.77 PREP (0.42) SMN1; SMN2PREPNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 US disclosed
EP-1444202-A1 NOVEL METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040098-A1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2003-05-15 WO 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 SMN1; SMN2 3575/4885CYP2C19 1451/4885PREP 66/4885

“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.