SCHEMBL4046732

SCHEMBL4046732

O=C(CCN1CCCC1)NCc1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
PARP1 P09874 5/20 0.44
GAA P10253 1/20 0.43
HTR7 P34969 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.42
NPY5R Q15761 3/20 0.42
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TNKS O95271 1/20 0.40

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
SCHEMBL4047633 0.99 TERT (0.47) TERTALDH1A1KDM4EHPGDRAB9A
SCHEMBL4047642 0.92 PARP1 (0.53) TERTALDH1A1KDM4EHPGDRAB9A
SCHEMBL4056017 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4215004 0.83 HTT (0.53) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4054601 0.82 KDM4E (0.48) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4225177 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4049901 0.81 HPGD (0.49) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4511530 0.79 HPGD (0.54) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4214432 0.78 PARP1 (0.55) ALDH1A1KDM4EHPGDRAB9AHIF1A
SCHEMBL4225788 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDRAB9AHIF1A

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 8 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
US-20080015182-A1 Potent PARP Inhibitors ABBOTT LABORATORIES 2008-01-17 US 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 TERT 609/4885ALDH1A1 282/4885KDM4E 515/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 TERT 609/4885ALDH1A1 282/4885KDM4E 515/4885

“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.