SCHEMBL855184

SCHEMBL855184

COc1ccc(-c2[nH]c(=O)c3cc(F)ccc3c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.57
GSK3B P49841 1/20 0.54
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
PARP1 P09874 7/20 0.49
PARP3 Q9Y6F1 5/20 0.49
MAOB P27338 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CYP19A1 P11511 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL12323816 0.89 SERPINE1 (0.62) SERPINE1GSK3BMEN1ALDH1A1KMT2A
SCHEMBL14976135 0.87 SERPINE1 (0.73) SERPINE1KDM4EPARP1PARP3PARP2
SCHEMBL853382 0.86 SERPINE1 (0.74) SERPINE1GSK3BALDH1A1KDM4EHPGD
SCHEMBL14976195 0.83 PARP1 (0.67) SERPINE1PARP1PARP3PARP2
SCHEMBL14867266 0.82 SERPINE1 (0.58) SERPINE1ALDH1A1KDM4EHPGDMAOB
SCHEMBL14976004 0.82 SERPINE1 (0.66) SERPINE1PARP1PARP3PARP2CYP19A1
SCHEMBL853554 0.81 SERPINE1 (0.72) SERPINE1ALDH1A1KDM4EHPGDPARP1
SCHEMBL853270 0.81 SERPINE1 (0.69) SERPINE1ALDH1A1KDM4EHPGDPARP1
SCHEMBL14976938 0.80 SERPINE1 (0.56) SERPINE1PARP1PARP3
SCHEMBL14976380 0.79 PARP1 (0.62) SERPINE1PARP1PARP3PARP2

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 SERPINE1 658/4885GSK3B 157/4885MEN1 4112/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 SERPINE1 658/4885GSK3B 157/4885MEN1 4112/4885

“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.