SCHEMBL15414896

SCHEMBL15414896

Cc1c(Cl)nc2ccccc2c1CO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GPR3 P46089 1/20 0.41
GLA P06280 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5860123 0.88 KDM4E (0.43) KDM4EALDH1A1GAAHPGDMAOA
SCHEMBL3970688 0.81 PDE10A (0.56) KDM4EALDH1A1GAAHPGDGPR3
SCHEMBL27943843 0.79 TDP1 (0.52) KDM4EALDH1A1GAAHPGDMAOA
SCHEMBL9611245 0.78 KDM4E (0.57) KDM4EALDH1A1GAAHPGDMAOA
SCHEMBL30774177 0.77 MAOA (0.61) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL2712314 0.77 MAOA (0.61) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL15413759 0.76 CYP1A2 (0.40) KDM4EALDH1A1GAAHPGDMAOA
SCHEMBL12767717 0.75 ERN1 (0.54) KDM4EALDH1A1GAAHPGDGPR3
SCHEMBL8545852 0.74 PDE10A (0.70) PDE10AKMT2ADHODHCYP2D6TSHR
SCHEMBL5469806 0.73 MAOA (0.56) KDM4EALDH1A1HPGDMAOAMAOB

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 10 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
EP-2897972-B1 2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2016-11-30 EP disclosed
US-9422331-B2 2-oxo-2,3,4,5-tetrahydro-1 H-benzo[B]diazepines and their use in the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2016-08-23 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
US-20150225449-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2015-08-13 US disclosed
EP-2897972-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-07-29 EP disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014044622-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-03-27 WO 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 (2 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-20150225449-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER H1-5, HRH2, TOP2B KDM4E 963/4885ALDH1A1 812/4885GAA 3493/4885
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B KDM4E 860/4885ALDH1A1 2545/4885GAA 780/4885

“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.