SCHEMBL14977334

SCHEMBL14977334

O=c1[nH]c(-c2ccc3c(c2)OCCO3)c(O)c2ccc(F)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.65
PARP3 Q9Y6F1 8/20 0.65
SERPINE1 P05121 3/20 0.50
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
PARP2 Q9UGN5 3/20 0.40

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
SCHEMBL14976116 0.93 PARP1 (0.65) PARP1PARP3SERPINE1MAPTSMN1; SMN2
SCHEMBL14976135 0.81 SERPINE1 (0.73) PARP1PARP3SERPINE1PARP2
SCHEMBL14976568 0.79 PARP1 (1.00) PARP1PARP3MAPK1MAP2K4MAPKAPK2
SCHEMBL14976380 0.79 PARP1 (0.62) PARP1PARP3SERPINE1PARP2
SCHEMBL14975987 0.77 PARP1 (0.73) PARP1PARP3NPC1RAB9AMAPK1
SCHEMBL14976389 0.76 PARP1 (0.62) PARP1PARP3SERPINE1PARP2MEN1
SCHEMBL14976004 0.76 SERPINE1 (0.66) PARP1PARP3SERPINE1PARP2
SCHEMBL14976552 0.76 PARP1 (0.66) PARP1PARP3SERPINE1PARP2
SCHEMBL853270 0.76 SERPINE1 (0.69) PARP1PARP3SERPINE1HPGDPARP2
SCHEMBL14976891 0.75 PARP1 (0.92) PARP1PARP3MAPTPARP2

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 PARP1 1/4885PARP3 4/4885SERPINE1 446/4885

“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.