SCHEMBL1867980

SCHEMBL1867980

CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3cccc(C(N)=O)c3C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
PARP1 P09874 7/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
NAMPT P43490 1/20 0.46
STS P08842 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
UCHL1 P09936 1/20 0.43

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
SCHEMBL19374775 0.86 DDB1 (0.52) PARP1DDB1CRBNNAMPTGPR119
SCHEMBL26130562 0.84 HPGD (0.62) HPGDRECQLNAMPTSTSGPR119
SCHEMBL30895649 0.84 HPGD (0.62) HPGDRECQLNAMPTSTSGPR119
SCHEMBL835762 0.83 HPGD (0.50) HPGDRECQLDDB1CRBNNAMPT
SCHEMBL4787883 0.81 NR1H2 (0.54) PARP1DDB1CRBNNAMPTUCHL1
SCHEMBL29710389 0.75 DDB1 (0.53) DDB1CRBNNAMPTGPR119UCHL1
SCHEMBL15893735 0.75 DDB1 (0.53) DDB1CRBNNAMPTGPR119UCHL1
SCHEMBL13099404 0.75 DDB1 (0.48) PARP1DDB1CRBNNAMPTUCHL1
SCHEMBL13088979 0.75 DDB1 (0.48) PARP1DDB1CRBNNAMPTUCHL1
SCHEMBL29802944 0.74 GPR119 (0.47) HPGDPARP1DDB1CRBNNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454236-B1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-09-04 EP disclosed
US-8877944-B2 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-04 US disclosed
US-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-27 US disclosed
EP-2454236-A1 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-05-23 EP disclosed
WO-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 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-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS PARP1, PARP2, PARP3 HPGD 232/4885RECQL 1117/4885PARP1 1/4885

“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.