SCHEMBL4047628

SCHEMBL4047628

O=C(c1cnn2c1[nH]c(=O)c1ccccc12)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
HIF1A Q16665 1/20 0.57
PARP1 P09874 8/20 0.55
SPR P35270 2/20 0.48
PLAT P00750 7/20 0.47
RXFP1 Q9HBX9 1/20 0.44
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4047617 0.91 ALDH1A1 (0.60) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4049147 0.89 ALDH1A1 (0.58) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4054786 0.89 ALDH1A1 (0.58) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4050175 0.88 PARP1 (0.61) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4050590 0.88 ALDH1A1 (0.57) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4224716 0.80 HPGD (0.67) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4056068 0.79 HPGD (0.66) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4047568 0.78 PARP1 (0.51) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4048539 0.76 HPGD (0.56) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4047424 0.76 HPGD (0.65) KDM4EALDH1A1HPGDRAB9AHIF1A

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
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US claimed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP claimed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US claimed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 WO claimed
EP-2069351-B1 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBVIE INC (US) 2015-10-28 EP disclosed
US-8183250-B2 Potent PARP inhibitors ABBOTT LABORATORIES (US) 2012-05-22 US disclosed
US-20090298858-A1 POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-12-03 US disclosed
EP-2069351-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US disclosed
WO-2007149907-A2 PYRAZOLOQUINAZOLINONES AS PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-12-27 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-20090298858-A1 POTENT PARP INHIBITORS PARP1, PARP2, PARP3 KDM4E 515/4885ALDH1A1 282/4885HPGD 392/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 KDM4E 515/4885ALDH1A1 282/4885HPGD 392/4885

“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.