SCHEMBL4943840

SCHEMBL4943840

CCC(C#N)(CC)C(N)=O.CCN(CC)C(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
MCL1 Q07820 2/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL4943847 0.80 LMNA (0.48) DPP4MCL1LMNA
SCHEMBL1405183 0.80 LMNA (0.48) DPP4MCL1LMNA
SCHEMBL3108109 0.80 ALDH1A1 (0.35) MCL1
Hydrochloric Acid SCHEMBL5796983 0.78 LMNA (0.46) DPP4MCL1LMNA
Nitric Acid SCHEMBL14721077 0.70 CA5A (0.31)
Nitric Acid SCHEMBL14696458 0.70 LMNA (0.39) DPP4MCL1LMNA
SCHEMBL1341188 0.69 MCL1 (0.37) MCL1LMNA
SCHEMBL30740976 0.68 ALDH1A1 (0.39) DPP4MCL1LMNA
SCHEMBL28504677 0.66 MCL1 (0.44) DPP4MCL1LMNA
SCHEMBL8426445 0.66 LMNA (0.50) DPP4LMNA

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-20080004343-A1 Stable polymorphs of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide WOCKHARDT LIMITED 2008-01-03 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-20080004343-A1 Stable polymorphs of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide GNE, HTR3E, HLA-C DPP4 2026/4885MCL1 4107/4885LMNA 271/4885

“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.