SCHEMBL9930336

SCHEMBL9930336

O=C1NC(c2cccc(Cl)c2)=COc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
TDP2 O95551 2/20 0.47
TP53 P04637 1/20 0.43
PGR P06401 1/20 0.40
IDO1 P14902 1/20 0.39
CHEK1 O14757 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.38
GSK3B P49841 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
GSK3A P49840 1/20 0.37
POLB P06746 1/20 0.37
GABRP O00591 1/20 0.37

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
SCHEMBL9930835 0.84 TDP2 (0.43) MAPTTDP2PGRMEN1KMT2A
SCHEMBL853543 0.83 MAPT (0.70) MAPTTDP2MEN1GAAKMT2A
SCHEMBL853160 0.81 MAPT (0.50) MAPTTDP2CHEK1MEN1KMT2A
SCHEMBL853976 0.80 MAPT (0.74) MAPTPGRCHEK1GAAKMT2A
SCHEMBL854623 0.72 MAPT (0.57) MAPTTDP2MAOBLMNAKDM4E
SCHEMBL854614 0.71 MAPT (1.00) MAPTTP53CHEK1GAAMAOB
SCHEMBL854525 0.70 MAPT (0.50) MAPTTDP2MAOBLMNAKDM4E
SCHEMBL853265 0.69 MAPT (0.57) MAPTTDP2MEN1KMT2ALMNA
SCHEMBL6170504 0.68 MAPT (0.55) MAPTTDP2TP53MEN1KMT2A
SCHEMBL14977068 0.68 TDP2 (0.43) MAPTTDP2MEN1KMT2APOLB

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 5 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

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 1619/4885TDP2 79/4885TP53 841/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885TDP2 79/4885TP53 841/4885

“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.