SCHEMBL6602571

SCHEMBL6602571

CCC(c1ccccc1)c1cc2ccccc2c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.51
PTGES O14684 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TYMP P19971 1/20 0.46
ELANE P08246 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL16783535 0.75 PTGES (0.50) PTGESMAPTALDH1A1KDM4ETYMP
SCHEMBL31179761 0.75 PTGES (0.50) PTGESMAPTALDH1A1KDM4ETYMP
SCHEMBL18672450 0.75 PTGES (0.50) PTGESMAPTALDH1A1KDM4ETYMP
SCHEMBL7076064 0.74 AKR1B1 (0.52) PTGESMAPTALDH1A1KDM4ETYMP
SCHEMBL29006537 0.73 CYP2C9 (0.54) CYP2C9ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6174622 0.73 CYP2C9 (0.61) CYP2C9MAPTALDH1A1KDM4E
SCHEMBL10725654 0.73 MAPT (0.67) PTGESMAPTALDH1A1KDM4ETYMP
SCHEMBL6601327 0.72 LOXL2 (0.51) MAPTALDH1A1KDM4ECASP3SENP7
SCHEMBL9402063 0.70 ELANE (0.54) PTGESMAPTALDH1A1KDM4ETYMP
SCHEMBL31604207 0.70 PTGES (0.56) PTGESMAPTALDH1A1KDM4ETYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3528806-A1 PHARMACEUTICAL COMPOUNDS Sareum Limited (GB) 2019-08-28 EP claimed
WO-2018073438-A1 PHARMACEUTICAL COMPOUNDS SAREUM LIMITED (GB) 2018-04-26 WO claimed
EP-3528806-A1 PHARMACEUTICAL COMPOUNDS Sareum Limited (GB) 2019-08-28 EP disclosed
WO-2018073438-A1 PHARMACEUTICAL COMPOUNDS SAREUM LIMITED (GB) 2018-04-26 WO disclosed
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
WO-2003005969-A2 TETRAHYDROPURINONES AS CORTICOTROPIN RELEASING FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-23 WO 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 CYP2C9 3441/4885PTGES 1279/4885MAPT 1465/4885

“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.