SCHEMBL853054

SCHEMBL853054

COc1cccc(C2=COc3ccc(F)cc3C(=O)N2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
GSK3B P49841 4/20 0.46
PRKCA P17252 2/20 0.46
CHEK1 O14757 1/20 0.44
GAA P10253 1/20 0.39
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NOTUM Q6P988 1/20 0.39
PIK3CG P48736 1/20 0.39
TP53 P04637 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PGR P06401 2/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL853592 0.86 MAPT (0.68) MAPTGSK3BALDH1A1KDM4EHPGD
SCHEMBL853976 0.85 MAPT (0.74) MAPTGSK3BPRKCACHEK1GAA
SCHEMBL854525 0.82 MAPT (0.50) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL14977068 0.81 TDP2 (0.43) MAPTNPY5RALDH1A1HPGDSMN1; SMN2
SCHEMBL9930835 0.81 TDP2 (0.43) MAPTGSK3BNPY5RALDH1A1NOTUM
SCHEMBL14976563 0.81 TDP2 (0.51) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL14976527 0.80 NOTUM (0.40) MAPTNPY5RNOTUMTP53PGR
SCHEMBL16227295 0.79 MAPT (0.49) MAPTPRKCAPGRHPGDSMN1; SMN2
SCHEMBL14977008 0.77 MAPT (0.42) MAPTPRKCAPGR
SCHEMBL16227213 0.75 MAPT (0.40) MAPTGSK3BGAANOTUMPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US disclosed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 US disclosed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP disclosed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 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 (2 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-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885GSK3B 157/4885PRKCA 498/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885GSK3B 157/4885PRKCA 498/4885

“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.