SCHEMBL6607047

SCHEMBL6607047

COc1cccc(Cc2cc3ccccc3c(=O)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.55
TYMP P19971 1/20 0.54
GPR55 Q9Y2T6 5/20 0.54
CNR1 P21554 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CNR2 P34972 4/20 0.51
KMT2A Q03164 2/20 0.47
F2 P00734 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2B P41595 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5215534 0.86 MAPT (0.60) VKORC1TYMPGPR55L3MBTL1MAPT
SCHEMBL6605495 0.81 TYMP (0.63) TYMPGPR55L3MBTL1MAPTALDH1A1
SCHEMBL1856108 0.75 CNR2 (0.46) GPR55CNR1CNR2KMT2AHTR1A
SCHEMBL6600286 0.75 LOXL2 (0.50) VKORC1MAPTCASP3SENP7KMT2A
SCHEMBL5218977 0.73 TYMP (0.57) TYMPGPR55L3MBTL1MAPTALDH1A1
SCHEMBL31716273 0.73 TYMP (0.57) VKORC1TYMPGPR55L3MBTL1MAPT
SCHEMBL8116697 0.73 VKORC1 (0.51) VKORC1GPR55CNR1CNR2KMT2A
SCHEMBL10725654 0.72 MAPT (0.67) TYMPL3MBTL1MAPTALDH1A1HPGD
SCHEMBL6605667 0.71 MAPT (0.61) TYMPL3MBTL1MAPTTDP1HTR2B
SCHEMBL2099512 0.71 CHRM2 (0.66)

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 VKORC1 2882/4885TYMP 65/4885GPR55 3453/4885

“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.