SCHEMBL4508917

SCHEMBL4508917

O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCOCCC3=O)cc2)C1)c1ccc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.53
LMNA P02545 4/20 0.49
TP53 P04637 3/20 0.49
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ENPP2 Q13822 4/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4504656 0.91 F10 (0.64) F10LMNATP53HTTTDP1
SCHEMBL4499868 0.89 F10 (0.49) F10LMNATP53HTTPOLB
SCHEMBL4518307 0.89 F10 (0.49) F10LMNATP53HTTTDP1
SCHEMBL4505693 0.87 F10 (0.61) F10LMNATP53ENPP2ALDH1A1
SCHEMBL4511103 0.82 HTT (0.40) F10LMNATP53HTTENPP2
SCHEMBL4515541 0.82 F10 (0.57) F10LMNATP53HTTPOLB
SCHEMBL4510420 0.81 F10 (0.52) F10LMNATP53ENPP2ALDH1A1
SCHEMBL4507763 0.81 F10 (0.54) F10LMNATP53HTTENPP2
SCHEMBL4510953 0.81 F10 (0.56) F10LMNATP53HTTPOLB
SCHEMBL4490933 0.80 F10 (0.57) F10LMNATP53ENPP2

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 2 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 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.