SCHEMBL6602287

SCHEMBL6602287

O=C1N=C(Cc2cccc(O)c2)Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.39
HTR1B P28222 1/20 0.39
TYR P14679 1/20 0.39
IDH1 O75874 2/20 0.36
MIF P14174 2/20 0.36
TDP2 O95551 1/20 0.36
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
RNASEH1 O60930 1/20 0.35
DHFR P00374 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.84 SORT1 (0.46) MIFTDP2ALDH1A1LMNARNASEH1
SCHEMBL6600290 0.81 ALPL (0.47) NR1H3HTR1BIDH1ALDH1A1LMNA
SCHEMBL9541257 0.76 MAOA (0.37) TYRTDP2ALDH1A1RNASEH1MAOA
SCHEMBL5214053 0.76 HTR2A (0.44) ALDH1A1LMNARNASEH1MAOAMEN1
SCHEMBL6046310 0.75 MAOA (0.44) MIFTDP2ALDH1A1CYP19A1RNASEH1
SCHEMBL6603867 0.74 MAPT (0.47) NR1H3TDP2ALDH1A1LMNADHFR
SCHEMBL5222708 0.73 MEN1 (0.51) NR1H3ALDH1A1LMNAMEN1KMT2A
SCHEMBL7264066 0.71 MAOA (0.44) TDP2ALDH1A1RNASEH1MAOAMEN1
SCHEMBL670717 0.69 MAOA (0.48) MIFTDP2ALDH1A1RNASEH1MAOA
Fluorene SCHEMBL28759112 0.69 GABRA1 (0.44) ENPP2ALDH1A1GPR84MEN1KMT2A

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 NR1H3 2659/4885HTR1B 1536/4885TYR 3992/4885

“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.