SCHEMBL835316

SCHEMBL835316

Cc1cccc(N2Cc3cccc(C(=O)O)c3C2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.79
POLB P06746 4/20 0.64
TDP1 Q9NUW8 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ESR1 P03372 1/20 0.64
NR4A1 P22736 1/20 0.64
APEX1 P27695 1/20 0.64
PTPN7 P35236 1/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
MCL1 Q07820 1/20 0.64
ESR2 Q92731 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TP53 P04637 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX15 P16050 1/20 0.50

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
SCHEMBL833849 0.88 PARP1 (1.00) PARP1POLBTDP1KDM4EESR1
SCHEMBL4728317 0.86 POLB (0.73) PARP1POLBTDP1KDM4EESR1
SCHEMBL16907880 0.78 POLB (0.70) PARP1POLBTDP1KDM4EESR1
SCHEMBL2116520 0.78 POLB (1.00) PARP1POLBTDP1KDM4EESR1
SCHEMBL22129205 0.75 POLB (0.66) PARP1POLBTDP1KDM4EESR1
SCHEMBL16907925 0.75 POLB (0.65) PARP1POLBTDP1KDM4EESR1
SCHEMBL21473610 0.75 NPC1 (0.69) PARP1KDM4ETP53NPC1GAA
SCHEMBL835757 0.74 PARP1 (0.74) PARP1POLBTDP1KDM4EESR1
SCHEMBL16907926 0.73 POLB (0.56) PARP1POLBTDP1KDM4EESR1
SCHEMBL21033067 0.72 NPC1 (1.00) PARP1POLBKDM4EHSD17B10TP53

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 disclosed
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBVIE INC. 2008-05-08 US disclosed
WO-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 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 (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 20/4885TDP1 50/4885

“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.