SCHEMBL4495243

SCHEMBL4495243

O=C(NC1CC(=O)N(c2ccc(N3CCCOC3=O)c(Cl)c2)C1)c1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
F10 P00742 9/20 0.45
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ENPP2 Q13822 3/20 0.40
POLB P06746 1/20 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
SCHEMBL4492454 0.97 LMNA (0.44) TP53LMNAF10ALDH1A1HPGD
SCHEMBL4504908 0.92 F10 (0.53) TP53LMNAF10
SCHEMBL4519041 0.89 ENPP2 (0.44) TP53LMNAF10ENPP2POLB
SCHEMBL4501332 0.88 F10 (0.53) TP53LMNAF10ALDH1A1HPGD
SCHEMBL4511189 0.88 F10 (0.46) TP53LMNAF10ALDH1A1HPGD
SCHEMBL4506006 0.88 F10 (0.46) TP53LMNAF10ALDH1A1HPGD
SCHEMBL4492374 0.87 F10 (0.52) TP53LMNAF10ENPP2POLB
SCHEMBL5263508 0.87 POLB (0.39) TP53LMNAF10ENPP2POLB
SCHEMBL4492429 0.87 LMNA (0.50) TP53LMNAF10ALDH1A1HPGD
SCHEMBL4490933 0.86 F10 (0.57) TP53LMNAF10ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US claimed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US claimed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 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-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS PYCR1, OAT, UROD TP53 3367/4885LMNA 2329/4885F10 814/4885

“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.