SCHEMBL15414568

SCHEMBL15414568

CS(=O)(=O)OCc1ccnc2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 3/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
BRD4 O60885 1/20 0.37
MITF O75030 1/20 0.37
COMT P21964 1/20 0.34
AKT1 P31749 1/20 0.33
MAPT P10636 1/20 0.33
HCAR2 Q8TDS4 3/20 0.33
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL1229628 0.83 LOXL2 (0.50) KDM4EHTTNPSR1CYP1A2CYP3A4
SCHEMBL28149455 0.77 CYP1A2 (0.37) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL1228806 0.77 FFAR1 (0.41) AKT1CYP1A2CYP3A4CYP2D6MMP13
SCHEMBL8372588 0.76 GSK3A (0.40) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL15414235 0.76 XIAP (0.35) KDM4EALOX12NPSR1MAPTHCAR2
SCHEMBL5014493 0.75 LOXL2 (0.39) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL15414641 0.75 XIAP (0.37) KDM4ENPC1HTTRAB9ABRD4
SCHEMBL1804719 0.74 CYP11B1 (0.40) AKT1CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL20565326 0.74 CASP3 (0.41) KDM4EHTTL3MBTL1AKT1MAOB
SCHEMBL345802 0.74 MMP2 (0.39) NPC1L3MBTL1AKT1CYP1A2CYP3A4

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 KDM4E 860/4885NPC1 1036/4885HTT 3879/4885

“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.