SCHEMBL15414847

SCHEMBL15414847

O=C1Nc2cc(-c3ccccc3)ccc2CCC1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
OTUD7B Q6GQQ9 3/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
TYRO3 Q06418 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL17310831 0.83 TDP2 (0.42) TDP2OTUD7BMAOAMAOBTYRO3
SCHEMBL8882577 0.83 OTUD7B (0.44) TDP2OTUD7BMAOAMAOBTYRO3
SCHEMBL7086240 0.80 NPC1 (0.52) KDM4ENPC1MAPTALDH1A1HPGD
SCHEMBL9024768 0.79 TDP2 (0.38) TDP2CRBN
SCHEMBL18743979 0.78 HTR5A (0.40) PARP10PARP11ALDH1A1CRBN
SCHEMBL15964659 0.78 CMA1 (0.50) TDP2MAOAMAOBPARP10PARP11
SCHEMBL9405728 0.78 TRPV1 (0.40) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL9405624 0.78 AHR (0.50) OTUD7BPARP10CRBN
SCHEMBL15415003 0.77 TDP2 (0.40) TDP2OTUD7BMAOAMAOBTYRO3
SCHEMBL15414611 0.76 MAOB (0.66) MAOAMAOB

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 TDP2 1387/4885OTUD7B 3326/4885MAOA 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.