SCHEMBL3285264

SCHEMBL3285264

CCOC(=O)C1CCCN(C(=O)c2ccc(N3CC(NC(=O)c4ccc(Br)s4)CC3=O)cc2C)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 4/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 1/20 0.42
F10 P00742 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3285196 0.90 LMNA (0.48) ALDH1A1HPGDPOLBLMNA
SCHEMBL2765669 0.89 TP53 (0.40) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3284611 0.88 TP53 (0.47) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3285286 0.88 TP53 (0.47) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3284505 0.87 TP53 (0.44) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3286715 0.87 TP53 (0.44) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3284178 0.87 TP53 (0.48) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3284580 0.86 TP53 (0.42) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL8261092 0.85 TP53 (0.41) ALDH1A1HPGDPOLBLMNAF10
SCHEMBL3286834 0.85 TP53 (0.41) ALDH1A1HPGDPOLBLMNAF10

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
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
EP-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed
US-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 US disclosed
WO-2006089909-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 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-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments PYCR1, S100A9, REV1 L3MBTL1 4767/4885ALDH1A1 1594/4885HPGD 1303/4885

“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.