SCHEMBL6604537

SCHEMBL6604537

O=C1N=C(Cc2ccccc2)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.46
APAF1 O14727 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 3/20 0.41
CASP7 P55210 2/20 0.41
GAA P10253 2/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 2/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9541257 0.88 MAOA (0.37) SORT1APAF1ALDH1A1MAPTKMT2A
SCHEMBL5214053 0.88 HTR2A (0.44) SORT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL6603867 0.85 MAPT (0.47) APAF1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5222708 0.84 MEN1 (0.51) APAF1ALDH1A1MAPTKMT2AMEN1
SCHEMBL6602287 0.84 NR1H3 (0.39) ALDH1A1KMT2AMEN1MAOALMNA
SCHEMBL6600290 0.81 ALPL (0.47) APAF1ALDH1A1MAPTKMT2AMEN1
SCHEMBL6046310 0.79 MAOA (0.44) APAF1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7264066 0.79 MAOA (0.44) APAF1ALDH1A1MAPTKMT2AMEN1
SCHEMBL516238 0.73 PTPN1 (0.40) ALDH1A1MAOAGAABCHECES1
SCHEMBL5311573 0.71 MAOA (0.50) ALDH1A1KMT2AMEN1MAOACASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SORT1 4794/4885APAF1 316/4885ALDH1A1 534/4885

“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.