SCHEMBL5215534

SCHEMBL5215534

COc1ccc(Cc2cc3ccccc3c(=O)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TYMP P19971 1/20 0.57
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
VKORC1 Q9BQB6 1/20 0.51
GPR55 Q9Y2T6 2/20 0.49
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.46
LTA4H P09960 1/20 0.46
CNR2 P34972 1/20 0.46
RAB9A P51151 1/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 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
SCHEMBL6607047 0.86 VKORC1 (0.55) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6605495 0.84 TYMP (0.63) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL31716273 0.81 TYMP (0.57) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL5218977 0.81 TYMP (0.57) MAPTKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL11673281 0.80 HTR2B (0.65) MAPTSMN1; SMN2TDP1CASP3SENP7
SCHEMBL28316267 0.78 CYP11B1 (0.64) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL28045622 0.75 KDM4E (1.00) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10725654 0.74 MAPT (0.67) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5222703 0.73 CDC25B (0.58) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30184318 0.72 LTA4H (0.42) MAPTALDH1A1SMN1; SMN2TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218506-B A method of isocoumarin class compound is prepared by o-Halogen benzoic acids methyl esters and terminal alkyne 湖南大学 2018-09-04 CN disclosed
EP-1397350-B1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS KUDOS PHARM LTD (GB) 2007-02-28 EP 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
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 1465/4885KDM4E 3073/4885ALDH1A1 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.