SCHEMBL853160

SCHEMBL853160

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
PPOX P50336 1/20 0.45
CNR1 P21554 1/20 0.40
NTSR1 P30989 1/20 0.40
OPRK1 P41145 1/20 0.40
PDE4D Q08499 1/20 0.40
CHEK1 O14757 1/20 0.40
LRRK2 Q5S007 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP2 O95551 3/20 0.39
CYP19A1 P11511 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TGM2 P21980 1/20 0.38
CES1 P23141 1/20 0.38
MAOB P27338 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL854525 0.82 MAPT (0.50) MAPTLRRK2TDP2CYP19A1LMNA
SCHEMBL9930336 0.81 MAPT (0.56) MAPTCHEK1KMT2AMEN1TDP2
SCHEMBL853543 0.81 MAPT (0.70) MAPTLRRK2KMT2AMEN1TDP2
SCHEMBL14976463 0.80 MAPT (0.45) MAPTPPOXRXFP1TDP2MAOB
SCHEMBL9930835 0.80 TDP2 (0.43) MAPTKMT2AMEN1TDP2ALDH1A1
SCHEMBL854594 0.79 CYP3A4 (0.51) MAPTPDE4DKMT2AMEN1TDP2
SCHEMBL16227295 0.73 MAPT (0.49) MAPTKMT2AMEN1TDP2NPSR1
4-Chloro-Phthalimide SCHEMBL27477784 0.73 PPOX (0.78) PPOXCNR1NTSR1OPRK1PDE4D
SCHEMBL853265 0.72 MAPT (0.57) MAPTPDE4DKMT2AMEN1TDP2
SCHEMBL29753145 0.70 LMNA (0.61) MAPTPPOXCHEK1LRRK2KMT2A

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 1619/4885PPOX 2365/4885CNR1 660/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885PPOX 2365/4885CNR1 660/4885

“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.