SCHEMBL15415006

SCHEMBL15415006

O=C1CCCNc2cc(-c3ccccc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 3/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
USP2 O75604 1/20 0.63
GAA P10253 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PARP10 Q53GL7 2/20 0.51
PARP11 Q9NR21 2/20 0.51
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL641073 0.78 MEN1 (0.49) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL21941474 0.77 KDM4E (0.59) MEN1KMT2ANPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL6137124 0.76 MEN1 (0.47) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL3532979 0.76 PARP10 (0.47) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL30051842 0.76 GAA (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3531650 0.76 GAA (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL25292799 0.75 PARP11 (0.82) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL7584101 0.73 HSD17B1 (0.73) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL28951004 0.73 KDM4E (0.59) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL21222886 0.73 HSD17B1 (0.68) MEN1KMT2ANPC1MAPTKDM4E

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 2772/4885NPC1 1036/4885

“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.