SCHEMBL6628293

SCHEMBL6628293

[N-]=[N+]=CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.51
CASP1 P29466 4/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
IL1B P01584 1/20 0.45

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
SCHEMBL6631022 1.00 LCK (0.51) LCKCASP1MMEACEIL1B
SCHEMBL6629727 0.91 CASP1 (0.47) LCKCASP1MMEACEIL1B
SCHEMBL6629733 0.91 CASP1 (0.47) LCKCASP1MMEACEIL1B
SCHEMBL6627184 0.91 CASP1 (0.48) LCKCASP1MMEACEIL1B
SCHEMBL6627258 0.89 CASP1 (0.48) LCKCASP1MMEACEIL1B
SCHEMBL6627256 0.89 CASP1 (0.48) LCKCASP1MMEACEIL1B
SCHEMBL6626933 0.89 LCK (0.54) LCKCASP1MMEACE
SCHEMBL6626934 0.89 LCK (0.54) LCKCASP1MMEACE
SCHEMBL6630865 0.88 CASP1 (0.44) LCKCASP1MMEACEIL1B
SCHEMBL6671463 0.87 CASP1 (0.44) LCKCASP1MMEACEIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 EP claimed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 US claimed
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 EP disclosed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 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-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof HRH4, HRH3, HRH2 LCK 4642/4885CASP1 2506/4885MME 2031/4885

“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.