SCHEMBL2755879

SCHEMBL2755879

O=C(O)NCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.55
USP2 O75604 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.50
GSK3B P49841 1/20 0.50
SLC13A5 Q86YT5 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
KDM1A O60341 1/20 0.49
HDAC1 Q13547 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL19553919 0.87 HDAC6 (0.54) ALDH1A1KDM4EL3MBTL1GAARAB9A
SCHEMBL21382093 0.84 SMN1; SMN2 (0.55) ERCC1ERCC4ALDH1A1KDM4EL3MBTL1
SCHEMBL4102507 0.83 KMT2A (0.66) ALDH1A1KDM4EL3MBTL1GAARAB9A
SCHEMBL249130 0.83 TRPV1 (0.52) ALDH1A1KDM4EGAACASP3SMN1; SMN2
SCHEMBL21815373 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2HDAC1KMT2A
SCHEMBL27678490 0.83 ALDH1A1 (0.71) ALDH1A1RAB9ANPC1USP2HTT
SCHEMBL1124148 0.82 TGM2 (0.55) ERCC1ERCC4ALDH1A1KDM4EL3MBTL1
SCHEMBL617426 0.81 KDM4E (0.58) ALDH1A1KDM4EGAASMN1; SMN2CYP2C19
SCHEMBL249626 0.80 KMT2A (0.47) ALDH1A1KDM4EGAASMN1; SMN2CYP2C19
SCHEMBL13007739 0.79 SMN1; SMN2 (0.53) ERCC1ERCC4ALDH1A1KDM4EL3MBTL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655345-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU Research Switzerland S.A. (CH) 2013-10-30 EP disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
WO-2012084602-A1 ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2012-06-28 WO disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
EP-1704148-B1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2011-03-02 EP disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS CONWAY ELIZABETH ANN 2009-09-24 US disclosed
EP-1874303-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2006114313-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-11-02 WO disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (3 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-20090239845-A1 PYRAZOLE COMPOUNDS AS PROSTAGLANDIN RECEPTORS LIGANDS PTGER1, PTGDR, PTGIR ERCC1 4563/4885ERCC4 4308/4885ALDH1A1 1438/4885
US-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 ERCC1 2838/4885ERCC4 2195/4885ALDH1A1 467/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 ERCC1 2838/4885ERCC4 2195/4885ALDH1A1 467/4885

“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.