SCHEMBL4047642

SCHEMBL4047642

O=C(CCN1CCOCC1)NCc1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.53
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPY5R Q15761 1/20 0.43
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TERT O14746 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4046732 0.92 TERT (0.47) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4215004 0.91 HTT (0.53) PARP1LMNAKDM4EALDH1A1HPGD
SCHEMBL4047633 0.91 TERT (0.47) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4056017 0.83 ALDH1A1 (0.50) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4054601 0.81 KDM4E (0.48) LMNAPOLBKDM4EALDH1A1HPGD
SCHEMBL4225177 0.79 ALDH1A1 (0.56) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4511530 0.77 HPGD (0.54) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4225788 0.75 ALDH1A1 (0.48) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4050665 0.74 HPGD (0.52) PARP1LMNAPOLBKDM4EALDH1A1
SCHEMBL4051794 0.74 HPGD (0.58) PARP1KDM4EALDH1A1HPGDRAB9A

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 PARP1 1/4885LMNA 415/4885POLB 31/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885LMNA 415/4885POLB 31/4885

“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.