SCHEMBL4889525

SCHEMBL4889525

COc1ccc(NC(=O)CCC(=O)N(C)C)c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
CPS1 P31327 4/20 0.40

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
SCHEMBL4896483 0.87 L3MBTL1 (0.43) ALDH1A1NPSR1HPGDMAPTTP53
SCHEMBL4886327 0.86 POLB (0.46) SMN1; SMN2ALDH1A1NPSR1MAPTMAPK1
SCHEMBL4895411 0.86 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPSR1TP53
SCHEMBL4893101 0.84 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTTSHRL3MBTL1
SCHEMBL4896113 0.83 MAPK1 (0.52) SMN1; SMN2ALDH1A1NPSR1HPGDTSHR
SCHEMBL14103281 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPSR1HPGDRAB9A
SCHEMBL4908569 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPSR1HPGDL3MBTL1
SCHEMBL4908582 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPSR1HPGDL3MBTL1
SCHEMBL4893013 0.81 MEN1 (0.48) ALDH1A1MAPTRAB9A
SCHEMBL4887377 0.79 POLB (0.43) SMN1; SMN2ALDH1A1NPSR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E SMN1; SMN2 4735/4885ALDH1A1 276/4885NPSR1 2465/4885

“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.