SCHEMBL4225097

SCHEMBL4225097

COC(C(=O)NCc1cnn2c1[nH]c(=O)c1ccccc12)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.49
PKM P14618 2/20 0.47
TAS2R8 Q9NYW2 3/20 0.39
PSMB5 P28074 3/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.36
PRKACA P17612 1/20 0.36
CSNK2A2 P19784 1/20 0.36

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
SCHEMBL4225089 1.00 LMNA (0.50) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4225177 0.81 ALDH1A1 (0.56) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4056017 0.79 ALDH1A1 (0.50) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4221821 0.77 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4221813 0.77 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERAB9AHIF1A
SCHEMBL4511530 0.77 HPGD (0.54) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4050665 0.76 HPGD (0.52) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4225788 0.75 ALDH1A1 (0.48) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4054601 0.75 KDM4E (0.48) LMNAALDH1A1HPGDKDM4ERAB9A
SCHEMBL4051794 0.74 HPGD (0.58) ALDH1A1HPGDKDM4ERAB9AHIF1A

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 LMNA 415/4885ALDH1A1 282/4885HPGD 392/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 LMNA 415/4885ALDH1A1 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.