SCHEMBL854581

SCHEMBL854581

O=c1[nH]c(-c2ccccc2)c(O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 1.00
MAPT P10636 3/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
PADI4 Q9UM07 1/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
PLA2G10 O15496 1/20 0.48
PARP1 P09874 6/20 0.46
TNKS O95271 4/20 0.46
TNKS2 Q9H2K2 4/20 0.46
IDE P14735 1/20 0.46
MPI P34949 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL16578788 0.85 SERPINE1 (0.74) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL854228 0.81 SERPINE1 (0.69) SERPINE1KDM4EPARP1
SCHEMBL853554 0.81 SERPINE1 (0.72) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL853270 0.81 SERPINE1 (0.69) SERPINE1ALDH1A1KDM4EHPGDPARP1
SCHEMBL853264 0.80 SERPINE1 (0.66) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL29031883 0.80 SERPINE1 (0.67) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL29639174 0.80 SERPINE1 (0.67) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL854071 0.79 SERPINE1 (0.65) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL12323808 0.78 SERPINE1 (0.65) SERPINE1MAPTALDH1A1KDM4EGAA
SCHEMBL15775856 0.78 SERPINE1 (0.65) SERPINE1ALDH1A1KDM4EGAANPSR1

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 658/4885MAPT 1619/4885ALDH1A1 299/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 SERPINE1 658/4885MAPT 1619/4885ALDH1A1 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.