SCHEMBL853587

SCHEMBL853587

COc1cccc(-c2[nH]c(=O)c3ccccc3c2O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 1.00
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HDAC4 P56524 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
F2 P00734 1/20 0.50
GRIN1 Q05586 1/20 0.49

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
SCHEMBL853382 0.85 SERPINE1 (0.74) SERPINE1HPGDKDM4EMAPK1ALDH1A1
SCHEMBL31047670 0.84 SERPINE1 (0.73) SERPINE1HPGDKMT2AALDH1A1F2
SCHEMBL853554 0.84 SERPINE1 (0.72) SERPINE1HPGDKDM4ECYP3A4MAPT
SCHEMBL854581 0.78 SERPINE1 (1.00) SERPINE1HPGDKMT2AKDM4EMEN1
SCHEMBL854228 0.78 SERPINE1 (0.69) SERPINE1KDM4EGRIN1GRIN2AGSK3B
SCHEMBL23791626 0.78 SERPINE1 (0.63) SERPINE1HPGDKMT2AKDM4EMEN1
SCHEMBL853509 0.77 SERPINE1 (0.62) SERPINE1KDM4E
SCHEMBL12323816 0.77 SERPINE1 (0.62) SERPINE1HPGDKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL854220 0.76 SERPINE1 (0.61) SERPINE1KDM4E
SCHEMBL14867266 0.73 SERPINE1 (0.58) SERPINE1HPGDKDM4EALDH1A1LMNA

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 658/4885HPGD 215/4885KMT2A 1627/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 SERPINE1 658/4885HPGD 215/4885KMT2A 1627/4885

“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.