SCHEMBL833367

SCHEMBL833367

CC(C)(C)OC(=O)N1CCCC(C(=O)N2Cc3cccc(C#N)c3C2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD11B1 P28845 2/20 0.47
UCHL1 P09936 3/20 0.44
HPGD P15428 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ATM Q13315 1/20 0.43
USP30 Q70CQ3 1/20 0.43
NAMPT P43490 3/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL835762 0.88 HPGD (0.50) UCHL1HPGDDDB1CRBNNAMPT
SCHEMBL834021 0.83 UCHL1 (0.64) HSD11B1UCHL1DDB1CRBNUSP30
SCHEMBL3055188 0.83 DDB1 (0.52) ALDH1A1UCHL1DDB1CRBNNAMPT
SCHEMBL31420680 0.83 DDB1 (0.52) ALDH1A1UCHL1DDB1CRBNNAMPT
SCHEMBL24265580 0.80 MAPK1 (0.49) ALDH1A1MEN1MAPTKMT2AUCHL1
SCHEMBL29574543 0.80 MAPK1 (0.46) ALDH1A1MEN1MAPTKMT2AUCHL1
SCHEMBL7641200 0.78 ESR2 (0.52) ALDH1A1MAPTUCHL1DDB1CRBN
SCHEMBL2121713 0.78 ESR2 (0.52) ALDH1A1MAPTUCHL1DDB1CRBN
SCHEMBL834779 0.76 MEN1 (0.45) ALDH1A1MEN1MAPTKMT2AHSD11B1
SCHEMBL17866332 0.76 MEN1 (0.54) ALDH1A1MEN1MAPTKMT2AUSP30

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 ALDH1A1 1374/4885MEN1 4007/4885MAPT 2075/4885

“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.