SCHEMBL854525

SCHEMBL854525

O=C1NC(c2ccccc2)=COc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
FABP6 P51161 1/20 0.42
TDP2 O95551 2/20 0.39
CYP19A1 P11511 1/20 0.39
RPS6KA3 P51812 1/20 0.38
LRRK2 Q5S007 1/20 0.37
FLT3 P36888 3/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL16227295 0.91 MAPT (0.49) MAPTFABP6TDP2HPGD
SCHEMBL14977373 0.86 MAPT (0.45) MAPTFABP6TDP2MAOB
SCHEMBL14976463 0.86 MAPT (0.45) MAPTFABP6TDP2FLT3MAOB
SCHEMBL14977068 0.85 TDP2 (0.43) MAPTFABP6TDP2HPGDALDH1A1
SCHEMBL9930835 0.85 TDP2 (0.43) MAPTFABP6TDP2ALDH1A1
SCHEMBL14976527 0.83 NOTUM (0.40) MAPTFABP6TDP2
SCHEMBL14977008 0.83 MAPT (0.42) MAPTFABP6TDP2
SCHEMBL14976821 0.82 MAPT (0.42) MAPTFABP6TDP2
SCHEMBL853592 0.82 MAPT (0.68) MAPTFABP6TDP2HPGDMAOB
SCHEMBL853160 0.82 MAPT (0.50) MAPTTDP2CYP19A1LRRK2LMNA

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 1619/4885FABP6 3530/4885TDP2 79/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885FABP6 3530/4885TDP2 79/4885

“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.