SCHEMBL5218977

SCHEMBL5218977

O=c1oc(Cc2ccc(F)cc2)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.57
L3MBTL1 Q9Y468 4/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 1/20 0.50
PTGES O14684 1/20 0.44
GPR55 Q9Y2T6 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ELANE P08246 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP6 P55212 1/20 0.41
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6605495 0.87 TYMP (0.63) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL31716273 0.85 TYMP (0.57) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL5215534 0.81 MAPT (0.60) TYMPL3MBTL1MAPTPTGESGPR55
SCHEMBL10368738 0.78 LOXL2 (0.53) L3MBTL1MAPTTP53MEN1KMT2A
SCHEMBL293338 0.74 MAPT (0.58) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL15509428 0.74 MAPT (0.58) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL10725654 0.74 MAPT (0.67) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL31179834 0.74 MAPT (0.58) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL29448287 0.74 MAPT (0.58) TYMPL3MBTL1ATMMAPTPTGES
SCHEMBL6607047 0.73 VKORC1 (0.55) TYMPL3MBTL1MAPTGPR55TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TYMP 65/4885L3MBTL1 1084/4885ATM 296/4885

“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.