SCHEMBL854589

SCHEMBL854589

COc1cccc(C(=O)COc2ccccc2C(N)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 2/20 0.67
LMNA P02545 2/20 0.66
HTT P42858 2/20 0.66
MAPK1 P28482 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
POLB P06746 1/20 0.56
BLM P54132 1/20 0.56
PARP1 P09874 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR1A P08908 5/20 0.54
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
MAPK10 P53779 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
SCHEMBL853545 0.88 HTT (0.58) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9930280 0.85 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL855090 0.82 MAPT (0.78) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL854117 0.82 MAPT (0.73) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL29207027 0.81 NPC1 (0.76) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6387834 0.80 HTT (0.66) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29207051 0.78 NPC1 (0.81) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29207073 0.77 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13687396 0.76 CTNNB1 (0.68) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL341047 0.76 CES2 (0.65) MAPTNPC1RAB9ASMN1; SMN2LMNA

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 MAPT 1619/4885NPC1 2797/4885RAB9A 4277/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885NPC1 2797/4885RAB9A 4277/4885

“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.