SCHEMBL3285180

SCHEMBL3285180

Cc1cc(N2CC(NC(=O)c3ccc(Br)s3)CC2=O)ccc1C(=O)N1CCCC1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
LMNA P02545 4/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
F10 P00742 3/20 0.39
KCNK3 O14649 1/20 0.38
BCAT2 O15382 1/20 0.38

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
SCHEMBL3285315 0.97 LMNA (0.47) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL8260784 0.90 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3285307 0.90 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3284754 0.90 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3288361 0.90 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3285304 0.90 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL13376519 0.89 LMNA (0.48) TP53LMNAPOLBHPGDF10
SCHEMBL3284382 0.89 TP53 (0.43) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3284654 0.89 LMNA (0.45) TP53LMNAPOLBALDH1A1HPGD
SCHEMBL3286086 0.89 TP53 (0.44) TP53LMNAPOLBALDH1A1HPGD

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
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US 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 TP53 3318/4885LMNA 1767/4885POLB 124/4885

“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.