SCHEMBL15414532

SCHEMBL15414532

COc1ccc2c(Br)cccc2c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.50
PRKDC P78527 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LY96 Q9Y6Y9 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
MEN1 O00255 1/20 0.38
AHR P35869 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPRF P10586 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL20562170 0.84 ALDH1A1 (0.49) ERN1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL28290999 0.84 ERN1 (0.50) ERN1PRKDCALDH1A1MAPTCYP1A2
SCHEMBL28289589 0.81 ERN1 (0.50) ERN1PRKDCALDH1A1MAPTNPC1
SCHEMBL4754150 0.80 ERN1 (0.58) ERN1PRKDCALDH1A1MAPTSMN1; SMN2
SCHEMBL15413980 0.80 ALDH1A1 (0.42) ERN1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL24317866 0.77 ERN1 (0.50) ERN1PRKDCALDH1A1MAPTSMN1; SMN2
SCHEMBL29532299 0.77 ERN1 (0.50) ERN1PRKDCALDH1A1MAPTSMN1; SMN2
SCHEMBL1004872 0.75 ERN1 (0.44) ERN1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL8711212 0.75 ERN1 (0.43) ERN1ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL29459690 0.75 ERN1 (0.44) ERN1ALDH1A1MAPTCYP1A2CYP2C9

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 ERN1 2063/4885PRKDC 3930/4885ALDH1A1 2545/4885

“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.