SCHEMBL4505693

SCHEMBL4505693

O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1ccc(Br)s1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.61
LMNA P02545 4/20 0.52
TP53 P04637 2/20 0.52
F2 P00734 1/20 0.52
HPGD P15428 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ENPP2 Q13822 7/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4510420 0.92 F10 (0.52) F10LMNATP53F2HPGD
SCHEMBL4508917 0.87 F10 (0.53) F10LMNATP53HPGDALDH1A1
SCHEMBL4516548 0.86 F10 (0.47) F10LMNATP53HPGDALDH1A1
SCHEMBL4516551 0.86 F10 (0.47) F10LMNATP53HPGDALDH1A1
SCHEMBL3285554 0.86 LMNA (0.50) F10LMNATP53HPGDALDH1A1
SCHEMBL4516665 0.86 F10 (0.48) F10LMNATP53
SCHEMBL4509586 0.85 LMNA (0.49) F10LMNATP53HPGDALDH1A1
SCHEMBL4503744 0.85 F10 (0.49) F10LMNATP53F2HPGD
SCHEMBL4505976 0.85 F10 (0.55) F10LMNATP53HPGDALDH1A1
SCHEMBL4501332 0.85 F10 (0.53) F10LMNATP53F2HPGD

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 F10 814/4885LMNA 2329/4885TP53 3367/4885

“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.