SCHEMBL15564004

SCHEMBL15564004

CCOC(=O)c1cc2cc(Cl)cc(Br)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
XDH P47989 1/20 0.55
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL2452663 0.86 ALOX15 (0.58) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL30457751 0.86 ALOX15 (0.58) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL15563889 0.86 XDH (0.74) ALOX15XDHCDK1CCNB1KDM4E
SCHEMBL4396474 0.86 ALOX15 (0.58) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL2496462 0.84 ALOX15 (0.57) ALOX15XDHCDK1CCNB1MAOB
SCHEMBL215234 0.84 XDH (0.56) ALOX15XDHCDK1CCNB1KDM4E
SCHEMBL8349472 0.83 ALOX15 (0.56) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL12501276 0.83 XDH (0.55) ALOX15XDHCDK1CCNB1KDM4E
SCHEMBL16486363 0.83 ALOX15 (0.56) ALOX15CDK1CCNB1KDM4EALDH1A1
SCHEMBL15563825 0.83 HPGD (0.61) ALOX15XDHCDK1CCNB1KDM4E

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-2981538-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
EP-2880036-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
US-9586966-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9284321-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-1-one HOFFMANN-LA ROCHE INC. (US) 2016-03-15 US disclosed
EP-2981538-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. Hoffmann-La Roche AG (CH) 2016-02-10 EP disclosed
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
US-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN-LA ROCHE INC. (US) 2015-09-03 US disclosed
EP-2880036-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. Hoffmann-La Roche AG (CH) 2015-06-10 EP disclosed
WO-2014161801-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-09 WO disclosed
WO-2014023674-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 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-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HTR1D, HTR1A, DRD2 ALOX15 3041/4885XDH 1106/4885CDK1 658/4885
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one DRD3, HTR3C, HTR1D ALOX15 1969/4885XDH 1450/4885CDK1 1108/4885

“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.