SCHEMBL3073937

SCHEMBL3073937

O=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1cccn12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.74
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HTR3A P46098 1/20 0.52
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL3344406 0.94 PARP1 (0.83) PARP1KDM4EALDH1A1CYP2D6HTR3A
SCHEMBL3074379 0.90 PARP1 (0.87) PARP1KDM4EALDH1A1GAAMEN1
SCHEMBL3077205 0.90 PARP1 (0.75) PARP1KDM4EALDH1A1GAAKMT2A
SCHEMBL3084923 0.85 PARP1 (1.00) PARP1KDM4EALDH1A1GAAHTR3A
SCHEMBL3074228 0.83 PARP1 (0.62) PARP1KDM4EALDH1A1TP53HPGD
SCHEMBL3074505 0.83 PARP1 (0.83) PARP1KDM4EALDH1A1GAAHTR3A
SCHEMBL3066705 0.81 PARP1 (1.00) PARP1KDM4EMEN1KMT2ACYP2D6
SCHEMBL2483444 0.80 PARP1 (0.89) PARP1KDM4EALDH1A1GAAMEN1
SCHEMBL3083967 0.79 PARP1 (0.64) PARP1KDM4EALDH1A1GAAKMT2A
SCHEMBL3068637 0.77 PARP1 (0.68) PARP1KDM4EALDH1A1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US 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 (1 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885KDM4E 4026/4885ALDH1A1 1358/4885

“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.