SCHEMBL15414798

SCHEMBL15414798

C[C@@H](C(=O)N[C@H]1CCc2ccc(OCc3ccccc3)cc2NC1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XIAP P98170 5/20 0.47
MAOB P27338 4/20 0.45
MAOA P21397 3/20 0.45
GHSR Q92847 3/20 0.41
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
SCN9A Q15858 2/20 0.39
CREBBP Q92793 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB2 P49721 1/20 0.38
YAP1 P46937 1/20 0.37

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
SCHEMBL15413789 1.00 XIAP (0.47) XIAPMAOBMAOAGHSRTAOK1
SCHEMBL15414534 0.93 XIAP (0.49) XIAPMAOBMAOASCN9ACREBBP
SCHEMBL15415518 0.92 XIAP (0.49) XIAPMAOBMAOASCN9A
SCHEMBL15413848 0.87 RIPK1 (0.41) XIAP
SCHEMBL15413788 0.86 XIAP (0.47) XIAPMAOBMAOALIPGSCN9A
SCHEMBL15415583 0.85 SCN9A (0.38) XIAPLIPGSCN9A
SCHEMBL15414007 0.84 PYGL (0.46) SCN9A
SCHEMBL15413893 0.84 PYGL (0.46) SCN9A
SCHEMBL15413892 0.84 PYGL (0.46) SCN9A
SCHEMBL15414477 0.83 AAK1 (0.39) XIAPSCN9A

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
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 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-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B XIAP 762/4885MAOB 631/4885MAOA 2309/4885

“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.