SCHEMBL15414641

SCHEMBL15414641

COc1cnc2ncccc2c1COS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MAOB P27338 1/20 0.34
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
BRD9 Q9H8M2 2/20 0.33
BRD7 Q9NPI1 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL15414235 0.83 XIAP (0.35) XIAPKMT2AKDM4EALDH1A1HCAR2
SCHEMBL15594323 0.81 PDPK1 (0.42) XIAPGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL15415344 0.77 XIAP (0.40) XIAPGAAKMT2AKDM4EMEN1
SCHEMBL15414568 0.75 KDM4E (0.37) KDM4EALDH1A1HCAR2MAOBNPC1
SCHEMBL3148928 0.72 ERN1 (0.41) GAAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3147190 0.70 L3MBTL1 (0.42) KDM4EHSD17B10MAOBSMN1; SMN2NPC1
SCHEMBL31663320 0.68 DHODH (0.36) HCAR2
SCHEMBL15413669 0.68 KMT2A (0.36) XIAPGAAKMT2AMEN1ALDH1A1
SCHEMBL30940274 0.66 SYK (0.49) KDM4EMAOBMAPTSYK
SCHEMBL19036712 0.66 SYK (0.49) KDM4EMAOBMAPTSYK

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 762/4885GAA 780/4885KMT2A 2772/4885

“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.