SCHEMBL4046381

SCHEMBL4046381

N#CCC(=O)c1ccc(CN2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HRH3 Q9Y5N1 11/20 0.52
HRH4 Q9H3N8 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAPGEF3 O95398 2/20 0.46
NCF1 P14598 1/20 0.46

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
SCHEMBL1928966 0.87 HPGD (0.57) HRH3HPGDKDM4EALDH1A1RAPGEF3
SCHEMBL25391576 0.79 HDAC1 (0.61) HDAC1HDAC8HDAC6HRH3HRH4
SCHEMBL3275430 0.78 HDAC1 (0.69) HDAC1HDAC8HDAC6HRH3HRH4
SCHEMBL30737599 0.78 HPGD (0.61) HPGDKDM4EALDH1A1
SCHEMBL395103 0.77 GSK3B (0.48) HPGDKDM4EALDH1A1
SCHEMBL28784579 0.76 HRH3 (0.69) HDAC1HDAC8HDAC6HRH3HRH4
SCHEMBL2787677 0.76 HDAC1 (0.67) HDAC1HDAC8HDAC6HRH3HRH4
SCHEMBL3275253 0.76 HRH3 (0.69) HDAC1HDAC8HDAC6HRH3HRH4
SCHEMBL30737498 0.76 HPGD (0.65) HPGDKDM4EALDH1A1
SCHEMBL15448626 0.76 HDAC1 (0.52) HDAC1HDAC8HDAC6HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 136/4885HDAC8 246/4885HDAC6 205/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 HDAC1 136/4885HDAC8 246/4885HDAC6 205/4885

“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.