SCHEMBL4214432

SCHEMBL4214432

O=C(NCCN1CCCCC1)c1cnn2c1[nH]c(=O)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.55
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
POLR1A O95602 4/20 0.45
KCNH2 Q12809 2/20 0.45
SLC40A1 Q9NP59 1/20 0.44
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4052148 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4049628 0.81 ALDH1A1 (0.68) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4223039 0.81 ALDH1A1 (0.56) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4054217 0.80 ALDH1A1 (0.60) KDM4EALDH1A1HPGDRAB9AHIF1A
SCHEMBL4229511 0.79 ALDH1A1 (0.57) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4047633 0.79 TERT (0.47) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4049147 0.79 ALDH1A1 (0.58) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4054786 0.79 ALDH1A1 (0.58) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4046732 0.78 TERT (0.47) PARP1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4520864 0.78 ALDH1A1 (0.57) 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 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 PARP1 1/4885KDM4E 515/4885ALDH1A1 282/4885
US-20080015182-A1 Potent PARP Inhibitors PARP1, PARP2, PARP3 PARP1 1/4885KDM4E 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.