SCHEMBL4490933

SCHEMBL4490933

O=C(N[C@@H]1CC(=O)N(c2ccc(N3CCOCC3=O)c(Cl)c2)C1)c1ccc(Br)s1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.57
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
ABCB11 O95342 1/20 0.44
F2 P00734 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
ENPP2 Q13822 3/20 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
SCHEMBL4518307 0.92 F10 (0.49) F10TP53LMNAENPP2
SCHEMBL4515541 0.91 F10 (0.57) F10TP53LMNAABCB11F2
SCHEMBL4506434 0.91 F10 (0.57) F10ABCB11F2ST14CYP3A4
SCHEMBL4510953 0.91 F10 (0.56) F10TP53LMNAABCB11F2
SCHEMBL4506653 0.90 F10 (0.57) F10TP53CYP3A4CYP2C9
SCHEMBL4491287 0.90 F10 (0.57) F10TP53CYP3A4CYP2C9
SCHEMBL4492727 0.90 F10 (0.57) F10TP53CYP3A4CYP2C9
SCHEMBL4501172 0.90 F10 (0.68) F10TP53LMNA
SCHEMBL13632164 0.89 F10 (0.48) F10TP53LMNAENPP2
SCHEMBL4504656 0.88 F10 (0.64) F10TP53LMNAABCB11F2

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 814/4885TP53 3367/4885LMNA 2329/4885

“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.