SCHEMBL6603867

SCHEMBL6603867

O=C1N=C(CCc2ccccc2)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
APAF1 O14727 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP7 P55210 2/20 0.47
CASP1 P29466 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.40
DHFR P00374 1/20 0.39
PARK7 Q99497 1/20 0.38
BCHE P06276 2/20 0.38
CES1 P23141 1/20 0.38
ALPL P05186 1/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6604537 0.85 SORT1 (0.46) MAPTKMT2AGAAAPAF1ALDH1A1
SCHEMBL516238 0.78 PTPN1 (0.40) GAAALDH1A1MAOABCHECES1
SCHEMBL7264066 0.78 MAOA (0.44) MAPTKMT2AGAAAPAF1ALDH1A1
SCHEMBL6046310 0.78 MAOA (0.44) MAPTKMT2AGAAAPAF1ALDH1A1
Fluorene SCHEMBL22720649 0.74 ALDH1A1 (0.51) MAPTKMT2AGAAAPAF1ALDH1A1
SCHEMBL9541257 0.74 MAOA (0.37) MAPTKMT2AGAAAPAF1ALDH1A1
SCHEMBL5214053 0.74 HTR2A (0.44) MAPTKMT2AGAAALDH1A1MEN1
SCHEMBL6602287 0.74 NR1H3 (0.39) KMT2AALDH1A1MEN1MAOADHFR
SCHEMBL5222708 0.71 MEN1 (0.51) MAPTKMT2AGAAAPAF1ALDH1A1
SCHEMBL5311573 0.70 MAOA (0.50) KMT2AGAAALDH1A1CASP7MEN1

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 MAPT 1465/4885KMT2A 1847/4885GAA 423/4885

“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.