SCHEMBL4532391

SCHEMBL4532391

COC(=CNCC(=O)O)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
CA2 P00918 1/20 0.30
ECE1 P42892 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
SCHEMBL4532387 1.00 ALDH1A1 (0.44) ALDH1A1CYP2D6SMN1; SMN2EGLN1MAPT
SCHEMBL4525715 0.73 ALDH1A1 (0.47) ALDH1A1CYP2D6SMN1; SMN2EGLN1MAPT
SCHEMBL4525716 0.73 ALDH1A1 (0.47) ALDH1A1CYP2D6SMN1; SMN2EGLN1MAPT
SCHEMBL4523866 0.73 ALDH1A1 (0.47) ALDH1A1CYP2D6SMN1; SMN2MAPTTDP1
SCHEMBL4523875 0.73 ALDH1A1 (0.47) ALDH1A1CYP2D6SMN1; SMN2MAPTTDP1
SCHEMBL16627670 0.68 ALDH1A1 (0.37) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL17177260 0.68 ALDH1A1 (0.42) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL21985272 0.67 ALDH1A1 (0.44) ALDH1A1CYP2D6SMN1; SMN2MAPTTDP1
SCHEMBL18658939 0.65 ALDH1A1 (0.47) ALDH1A1CYP2D6SMN1; SMN2EGLN1
SCHEMBL7069815 0.63

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-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 ALDH1A1 4307/4885CYP2D6 2295/4885SMN1; SMN2 4126/4885

“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.