SCHEMBL4804590

SCHEMBL4804590

O=Cc1ccc(OB(O)O)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
IMPDH2 P12268 2/20 0.37
SRC P12931 1/20 0.37
MCL1 Q07820 2/20 0.37

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
SCHEMBL545661 0.77 MAPT (0.54) LMNAKMT2AMEN1TDP1KDM4E
SCHEMBL29708066 0.77 MAPT (0.54) LMNAKMT2AMEN1TDP1KDM4E
SCHEMBL29786760 0.77 KMT2A (0.61) LMNAKMT2AMEN1THRBBLM
SCHEMBL982388 0.77 KMT2A (0.61) LMNAKMT2AMEN1THRBBLM
SCHEMBL2649230 0.76 HTT (0.50) LMNAKMT2AMEN1BLMTDP1
SCHEMBL548485 0.76 ALDH1A1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL30339053 0.76 ALDH1A1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL904503 0.76 LMNA (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL8384544 0.75 SRC (0.64) LMNAKMT2AMEN1THRBBLM
SCHEMBL7537816 0.75 IDO1 (0.46) KMT2AMEN1NPSR1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425563-B2 Excellent poly (ADP-ribose) synthetase inhibitors; various ischemic diseases, inflammatory diseases, neurodegenerative diseases, diabetes, septic shock, cephalic injury; 1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-09-16 US disclosed
US-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-08-03 US disclosed
EP-1544194-A1 4-(SUBSTITUTED ARYL)-5-HYDROXYISOQUINOLINONE DERIVATIVE KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-06-22 EP 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-20060173039-A1 4-(Substituted aryl)-5-hydroxyisoquinolinone derivative PARP1, PARP11, PARP4 LMNA 1559/4885KMT2A 1174/4885MEN1 2896/4885

“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.