SCHEMBL15414841

SCHEMBL15414841

COC(=O)c1c(C)cnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 4/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
NR4A2 P43354 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL10465977 0.85 HTT (0.55) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL3159333 0.85 MEN1 (0.54) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL25248959 0.84 MEN1 (0.52) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL3152210 0.84 MEN1 (0.52) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL5778001 0.84 MEN1 (0.52) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL10466211 0.84 MEN1 (0.52) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL20669915 0.83 TP53 (0.50) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL5759350 0.83 PDE10A (0.57) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL23733197 0.83 HTT (0.52) MEN1KMT2AKDM4EHPGDMAPT
SCHEMBL19012579 0.81 MEN1 (0.46) MEN1KMT2AKDM4EMAPTALDH1A1

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 MEN1 1002/4885KMT2A 2772/4885KDM4E 860/4885

“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.