SCHEMBL834078

SCHEMBL834078

CN1CCN(c2ccc(N3Cc4cccc(C#N)c4C3=O)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.63
HTR2C P28335 2/20 0.49
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ESR2 Q92731 2/20 0.42
ADRA2C P18825 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR1 P03372 1/20 0.42
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL835994 0.88 PARP1 (0.49) PARP1HTR2CALDH1A1KDM4EESR2
SCHEMBL834523 0.82 PARP1 (0.61) PARP1HTR2CKDM4EESR2GAA
SCHEMBL835788 0.78 PARP1 (1.00) PARP1KDM4EESR2ESR1POLB
SCHEMBL10113636 0.77 TP53 (0.62) PARP1HTR2CKDM4EESR2GAA
SCHEMBL834080 0.77 PARP1 (0.65) PARP1HTR2CALDH1A1KDM4EESR2
SCHEMBL17519983 0.76 PARP1 (0.53) PARP1HTR2CALDH1A1KDM4EGAA
SCHEMBL10113584 0.72 TP53 (0.45) PARP1HTR2CALDH1A1KDM4EESR2
SCHEMBL24761864 0.70 HTR2C (0.47) PARP1HTR2CALDH1A1KDM4EMCL1
SCHEMBL835113 0.70 PARP1 (0.67) PARP1HTR2CALDH1A1TDP1HTR2A
SCHEMBL17120708 0.70 KDM4E (0.56) ALDH1A1KDM4EESR2ADRA2CMAPT

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 1/4885HTR2C 4265/4885ALDH1A1 1374/4885

“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.