SCHEMBL4887010

SCHEMBL4887010

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)C(N)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 1/20 0.49
CCKBR P32239 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 4/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
RBP4 P02753 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ALOX15 P16050 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
SCHEMBL4884311 0.86 KDM4E (0.48) ALDH1A1NPSR1KDM4EL3MBTL1LMNA
SCHEMBL4887023 0.85 GABRP (0.51) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL14087736 0.81 SMN1; SMN2 (0.50) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL4889261 0.80 LMNA (0.46) ALDH1A1CCKBRKDM4ELMNATP53
SCHEMBL4883870 0.80 ALDH1A1 (0.48) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL4894071 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL14087779 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL4886951 0.78 ALDH1A1 (0.43) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL4886934 0.78 ALDH1A1 (0.43) ALDH1A1NPSR1CCKBRKDM4EHSD17B10
SCHEMBL4889268 0.78 LMNA (0.47) ALDH1A1NPSR1CCKBRKDM4ELMNA

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-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 ALDH1A1 276/4885NPSR1 2465/4885CCKBR 1911/4885

“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.