SCHEMBL834012

SCHEMBL834012

O=C(O)c1cccc2c1C(=O)N(C1CCCCC1)C2

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.78
POLB P06746 4/20 0.78
HTT P42858 1/20 0.78
ESR2 Q92731 1/20 0.78
PARP2 Q9UGN5 2/20 0.68
MAPT P10636 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 1/20 0.59
TSHR P16473 2/20 0.57
MAPK10 P53779 1/20 0.57
PKM P14618 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL29802913 0.93 PARP2 (0.81) PARP1POLBHTTESR2PARP2
SCHEMBL834519 0.88 PARP1 (1.00) PARP1POLBHTTESR2PARP2
SCHEMBL1861959 0.86 PARP1 (0.79) PARP1POLBHTTESR2PARP2
Hydrochloric Acid SCHEMBL29945363 0.85 PARP1 (0.77) PARP1POLBHTTESR2PARP2
SCHEMBL15661314 0.81 PARP2 (1.00) PARP1POLBHTTESR2PARP2
SCHEMBL29802704 0.80 PARP1 (0.69) PARP1PARP2
SCHEMBL29802800 0.80 PARP1 (0.82) PARP1POLBHTTESR2PARP2
SCHEMBL31252784 0.78 PARP1 (0.67) PARP1POLBHTTESR2PARP2
SCHEMBL12714310 0.78 PARP1 (0.67) PARP1POLBHTTESR2PARP2
SCHEMBL12714908 0.78 PARP1 (0.67) PARP1POLBHTTESR2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143284-B2 2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide; allergic encephalitis, arthritis, cardiac and kidney toxicities from doxorubicin-based and platinum-based antineoplastic agents, carcinoma of the breast, central nervous system inflammation, cervical carcinoma, ABBOTT LABORATORIES (US) 2012-03-27 US disclosed
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBVIE INC. 2008-05-08 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-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS PARP1, PARP11, PARP2 PARP1 1/4885POLB 20/4885HTT 729/4885

“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.