SCHEMBL1863467

SCHEMBL1863467

O=C(O)c1cccc2c1C(=O)N(CC1CCNCC1)C2

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.80
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
PARP2 Q9UGN5 5/20 0.51
NR1I2 O75469 1/20 0.48
UGCG Q16739 1/20 0.48
LMNA P02545 1/20 0.45

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
SCHEMBL833312 0.89 PARP1 (1.00) PARP1HTTPARP2LMNA
SCHEMBL1861959 0.79 PARP1 (0.79) PARP1HTTPARP2
Hydrochloric Acid SCHEMBL29945363 0.78 PARP1 (0.77) PARP1HTTPARP2
SCHEMBL6128734 0.77 PARP1 (0.53) PARP1HTTALOX15PARP2NR1I2
SCHEMBL832453 0.76 PARP1 (1.00) PARP1HTTPARP2LMNA
SCHEMBL17814222 0.75 PARP1 (0.58) PARP1ALOX15
SCHEMBL19443364 0.74 PARP1 (0.58) PARP1PARP2NR1I2UGCG
SCHEMBL17207994 0.74 PARP1 (0.80) PARP1HTTALOX15PARP2LMNA
SCHEMBL29802795 0.74 PARP1 (0.80) PARP1HTTALOX15PARP2LMNA
Hydrochloric Acid SCHEMBL5251902 0.74 PARP1 (0.57) PARP1ALOX15

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 PARP1 1/4885HTT 2222/4885ALOX15 450/4885

“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.