SCHEMBL4226019

SCHEMBL4226019

O=C(NCC1CCNCC1)c1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLAT P00750 11/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 1/20 0.53
HTR4 Q13639 4/20 0.52
PARP1 P09874 2/20 0.50
CHRM1 P11229 2/20 0.44

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
SCHEMBL4049628 0.81 ALDH1A1 (0.68) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4520864 0.80 ALDH1A1 (0.57) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4054217 0.80 ALDH1A1 (0.60) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4052148 0.77 ALDH1A1 (0.57) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4229511 0.77 ALDH1A1 (0.57) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4047424 0.77 HPGD (0.65) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4223039 0.76 ALDH1A1 (0.56) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4214432 0.76 PARP1 (0.55) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4047628 0.76 KDM4E (0.57) PLATKDM4EALDH1A1HPGDRAB9A
SCHEMBL4052993 0.75 ALDH1A1 (0.60) PLATKDM4EALDH1A1HPGDRAB9A

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 9 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
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 PLAT 361/4885KDM4E 515/4885ALDH1A1 282/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PLAT 361/4885KDM4E 515/4885ALDH1A1 282/4885

“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.