SCHEMBL833334

SCHEMBL833334

NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 1.00
POLB P06746 2/20 0.49
ESR2 Q92731 2/20 0.49
HTT P42858 1/20 0.49
PARP2 Q9UGN5 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL836632 0.89 PARP1 (1.00) PARP1POLBESR2HTTPARP2
SCHEMBL836884 0.76 PARP1 (1.00) PARP1POLBESR2HTTPARP2
SCHEMBL834348 0.76 PARP1 (0.77) PARP1POLBESR2HTTPARP2
SCHEMBL835374 0.75 PARP1 (1.00) PARP1POLBESR2HTTPARP2
SCHEMBL832801 0.75 PARP1 (0.80) PARP1POLBESR2HTTPARP2
Hydrochloric Acid SCHEMBL15659517 0.75 PARP1 (0.97) PARP1POLBESR2HTTPARP2
SCHEMBL835788 0.74 PARP1 (1.00) PARP1POLBESR2HTTPARP2
SCHEMBL1866667 0.74 PARP1 (0.77) PARP1PARP2
SCHEMBL833312 0.74 PARP1 (1.00) PARP1HTTPARP2
SCHEMBL1860022 0.73 PARP1 (0.80) PARP1PARP2

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 3 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 claimed
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 20/4885ESR2 2645/4885

“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.