SCHEMBL1863347

SCHEMBL1863347

NCCCN1Cc2cccc(C(=O)O)c2C1=O

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
PARP1 P09874 15/20 0.62
PARP2 Q9UGN5 12/20 0.62
LMNA P02545 1/20 0.59
ALOX15 P16050 1/20 0.57

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
SCHEMBL1867231 0.89 PARP1 (0.76) HTTPARP1PARP2LMNA
SCHEMBL29803174 0.84 PARP1 (0.82) HTTPARP1PARP2LMNAALOX15
SCHEMBL22830355 0.82 PARP1 (0.80) HTTPARP1PARP2LMNAALOX15
SCHEMBL29803247 0.82 PARP1 (0.80) HTTPARP1PARP2LMNAALOX15
SCHEMBL29802835 0.82 HTT (0.69) HTTPARP1PARP2LMNAALOX15
SCHEMBL29802830 0.81 PARP1 (0.81) HTTPARP1PARP2LMNAALOX15
SCHEMBL29802805 0.80 PARP1 (0.81) HTTPARP1PARP2LMNAALOX15
SCHEMBL12714342 0.80 PARP1 (0.48) HTTPARP1PARP2LMNA
SCHEMBL12715998 0.80 PARP1 (0.51) HTTPARP1PARP2LMNA
SCHEMBL1865315 0.80 HTT (0.86) HTTPARP1PARP2ALOX15

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 HTT 2222/4885PARP1 1/4885PARP2 2/4885

“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.