SCHEMBL5222708

SCHEMBL5222708

COc1ccc(CC2=NC(=O)c3ccccc3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CASP3 P42574 2/20 0.51
APAF1 O14727 1/20 0.51
GAA P10253 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
NSD2 O96028 1/20 0.47
LTA4H P09960 1/20 0.45
NPC1 O15118 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
NR1H3 Q13133 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL6600290 0.86 ALPL (0.47) MEN1KMT2ACASP3APAF1GAA
SCHEMBL6604537 0.84 SORT1 (0.46) MEN1KMT2ACASP3APAF1GAA
SCHEMBL5214053 0.82 HTR2A (0.44) MEN1KMT2ACASP3GAAKDM4E
SCHEMBL9541257 0.82 MAOA (0.37) MEN1KMT2ACASP3APAF1GAA
SCHEMBL9279017 0.78 LTA4H (0.49) MEN1KMT2ACASP3APAF1GAA
SCHEMBL4769027 0.76 NPC1 (0.46) MEN1KMT2ACASP3APAF1GAA
SCHEMBL7264066 0.75 MAOA (0.44) MEN1KMT2ACASP3APAF1GAA
SCHEMBL6602287 0.73 NR1H3 (0.39) MEN1KMT2ANR1H3ALDH1A1LMNA
SCHEMBL6046310 0.71 MAOA (0.44) MEN1KMT2ACASP3APAF1GAA
SCHEMBL6603867 0.71 MAPT (0.47) MEN1KMT2ACASP3APAF1GAA

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-1397350-B1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARM LTD (GB) 2007-02-28 EP disclosed
EP-1397350-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-03-17 EP disclosed
US-6664269-B2 Adminisetring isoquinolinone compounds for therapy of disease mediated by the enzyme poly(ADP- ribose)polymerase (\"PARP\") MAYBRIDGE PLC (GB) 2003-12-16 US disclosed
US-20030008896-A1 Isoquinolinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2003-01-09 US disclosed
WO-2002090334-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2002-11-14 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-20030008896-A1 Isoquinolinone derivatives PARP1, PARP2, PARP3 MEN1 3883/4885KMT2A 1847/4885CASP3 425/4885

“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.