SCHEMBL854683

SCHEMBL854683

NC(=O)c1cc(Cl)ccc1OCC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 2/20 0.47
TSHR P16473 1/20 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
SCHEMBL22777296 0.84 TDP1 (0.66) MAPTTDP1PTGDR2NPC1RAB9A
SCHEMBL854051 0.83 MAPT (0.59) MAPTTDP1L3MBTL1PTGDR2MEN1
SCHEMBL9787090 0.82 TDP1 (0.69) MAPTTDP1L3MBTL1PTGDR2NPC1
SCHEMBL31531952 0.82 TDP1 (0.69) MAPTTDP1L3MBTL1PTGDR2NPC1
SCHEMBL853865 0.82 MAPT (0.58) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL854117 0.82 MAPT (0.73) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL855090 0.82 MAPT (0.78) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL853730 0.81 MAPT (0.56) MAPTPTGDR2MEN1KMT2ANPC1
SCHEMBL10675993 0.80 LMNA (0.57) MAPTTDP1MEN1KMT2ANPC1
SCHEMBL3729989 0.80 PTGER1 (0.64) KMT2A

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 8 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

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.