SCHEMBL853592

SCHEMBL853592

COc1ccc(C2=COc3ccc(F)cc3C(=O)N2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GSK3B P49841 1/20 0.41
MDM2 Q00987 2/20 0.40
THRB P10828 1/20 0.39
PTGS1 P23219 2/20 0.39
AR P10275 1/20 0.38
ALOX5 P09917 1/20 0.38
KDR P35968 1/20 0.38
FABP6 P51161 1/20 0.38
TDP2 O95551 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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 0.88 MAPT (0.49) MAPTMEN1KMT2AHPGDTHRB
SCHEMBL853054 0.86 MAPT (0.54) MAPTALDH1A1KDM4EHPGDGSK3B
SCHEMBL14976563 0.84 TDP2 (0.51) MAPTMEN1ALDH1A1KMT2AKDM4E
SCHEMBL14976463 0.83 MAPT (0.45) MAPTMAOBGSK3BMDM2AR
SCHEMBL14977373 0.83 MAPT (0.45) MAPTMEN1KMT2AMAOBFABP6
SCHEMBL854525 0.82 MAPT (0.50) MAPTALDH1A1MAOBKDM4EHPGD
SCHEMBL854614 0.81 MAPT (1.00) MAPTALDH1A1MAOBGSK3BALOX5
SCHEMBL16227290 0.81 PTGS2 (0.46) MAPTPTGS1
SCHEMBL14977008 0.80 MAPT (0.42) MAPTMEN1KMT2AFABP6TDP2
SCHEMBL14976821 0.80 MAPT (0.42) MAPTMDM2PTGS1ARFABP6

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 1619/4885MEN1 4112/4885ALDH1A1 299/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885MEN1 4112/4885ALDH1A1 299/4885

“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.