SCHEMBL1859153

SCHEMBL1859153

CCOC(=O)CN1Cc2cccc(C(=O)O)c2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 1.00
HTT P42858 2/20 0.60
PARP1 P09874 7/20 0.52
PARP2 Q9UGN5 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BLM P54132 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49
PTPN7 P35236 1/20 0.49
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL25175090 0.84 ALOX15 (0.72) ALOX15HTTPARP1PARP2LMNA
SCHEMBL30503169 0.84 ALOX15 (0.72) ALOX15HTTPARP1PARP2LMNA
SCHEMBL25169244 0.84 ALOX15 (0.72) ALOX15HTTPARP1PARP2LMNA
SCHEMBL1865315 0.77 HTT (0.86) ALOX15HTTPARP1PARP2ALDH1A1
SCHEMBL833951 0.76 PARP1 (0.78) ALOX15HTTPARP1PARP2LMNA
SCHEMBL25172566 0.76 ALOX15 (0.61) ALOX15ALDH1A1MEN1KMT2ABLM
SCHEMBL30503190 0.76 ALOX15 (0.61) ALOX15ALDH1A1MEN1KMT2ABLM
SCHEMBL29802795 0.75 PARP1 (0.80) ALOX15HTTPARP1PARP2LMNA
SCHEMBL17207994 0.75 PARP1 (0.80) ALOX15HTTPARP1PARP2LMNA
SCHEMBL20214403 0.74 HTT (0.58) ALOX15HTTPARP1PARP2LMNA

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 ALOX15 450/4885HTT 2222/4885PARP1 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.