SCHEMBL14976563

SCHEMBL14976563

COc1ccc(C2=COc3ccc(F)cc3C(=O)N2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.51
MAPT P10636 3/20 0.48
PARP1 P09874 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
PTGS2 P35354 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PTGS1 P23219 2/20 0.38
ABL1 P00519 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 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
SCHEMBL14977008 0.85 MAPT (0.42) TDP2MAPTPARP1PARP3MEN1
SCHEMBL853592 0.84 MAPT (0.68) TDP2MAPTMEN1KMT2AALDH1A1
SCHEMBL16227295 0.82 MAPT (0.49) TDP2MAPTPARP1MEN1KMT2A
SCHEMBL853054 0.81 MAPT (0.54) MAPTALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL14977373 0.80 MAPT (0.45) TDP2MAPTPARP1PARP3MEN1
SCHEMBL16227213 0.78 MAPT (0.40) TDP2MAPTPARP1PARP3MEN1
SCHEMBL14976463 0.77 MAPT (0.45) TDP2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14976676 0.77 MAPT (0.41) TDP2MAPTPARP1PARP3PTGS2
SCHEMBL854525 0.77 MAPT (0.50) TDP2MAPTALDH1A1HPGDKDM4E
SCHEMBL14976868 0.77 MAPK1 (0.44) TDP2MAPTPARP1PTGS2MEN1

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-2788328-B1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-01-31 EP disclosed
US-9422243-B2 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. a corporation (IT) 2016-08-23 US disclosed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 US disclosed
EP-2788328-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-10-15 EP disclosed
WO-2013076090-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 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-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 TDP2 100/4885MAPT 1066/4885PARP1 1/4885

“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.