SCHEMBL855090

SCHEMBL855090

NC(=O)c1ccccc1OCC(=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
PARP1 P09874 2/20 0.56
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.55
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53

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
SCHEMBL6203140 0.88 MAPT (0.74) MAPTKDM4EHTTKMT2AMEN1
SCHEMBL14398436 0.86 KDM4E (0.67) MAPTTDP1L3MBTL1KDM4EHTT
SCHEMBL9930280 0.85 MAPT (0.71) MAPTKMT2AMEN1LMNAPARP1
SCHEMBL854051 0.85 MAPT (0.59) MAPTTDP1L3MBTL1KDM4EHTT
SCHEMBL24290 0.84 KDM4E (0.64) MAPTTDP1L3MBTL1KDM4EHTT
SCHEMBL30179617 0.84 KDM4E (0.64) MAPTTDP1L3MBTL1KDM4EHTT
SCHEMBL854117 0.84 MAPT (0.73) MAPTKDM4EHTTKMT2AMEN1
SCHEMBL9787048 0.84 L3MBTL1 (0.73) MAPTTDP1L3MBTL1KDM4EHTT
SCHEMBL3455066 0.82 HTT (0.77) MAPTKDM4EHTTKMT2AMEN1
SCHEMBL854683 0.82 MAPT (0.71) MAPTTDP1L3MBTL1HTTKMT2A

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 11 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
CN-102438986-B Isoquinolin-1 (2h) -one derivatives as parp-1 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-07-01 CN 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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 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 MAPT 1619/4885TDP1 37/4885L3MBTL1 2964/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885TDP1 37/4885L3MBTL1 2964/4885

“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.