SCHEMBL854623

SCHEMBL854623

O=C1NC(c2ccsc2)=COc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
PTPRC P08575 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 2/20 0.38
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 1/20 0.37
STK10 O94804 2/20 0.36
SLK Q9H2G2 2/20 0.36
GSK3B P49841 2/20 0.36
CYP19A1 P11511 1/20 0.36
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33

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
SCHEMBL853543 0.81 MAPT (0.70) MAPTKDM4ELMNATDP1GSK3B
SCHEMBL9930336 0.72 MAPT (0.56) MAPTKDM4ELMNATDP1MAOB
SCHEMBL854614 0.72 MAPT (1.00) MAPTTDP1MAOBGSK3BCYP19A1
SCHEMBL853976 0.70 MAPT (0.74) MAPTLMNAMAOBGSK3BCYP19A1
SCHEMBL6170504 0.69 MAPT (0.55) MAPTKDM4ELMNATDP1GSK3B
SCHEMBL8980802 0.67 CHEK1 (0.44) PTPRCKDM4EMAOBCYP2E1CYP2A6
SCHEMBL7468086 0.66 MAPT (0.51) MAPTKDM4ELMNATDP1GSK3B
SCHEMBL853160 0.65 MAPT (0.50) MAPTKDM4ELMNAMAOBCYP19A1
SCHEMBL854525 0.65 MAPT (0.50) MAPTKDM4ELMNAMAOBCYP19A1
SCHEMBL4946960 0.65 CYP2A6 (0.64) PTPRCMAOBCYP2E1CYP2A6CYP2B6

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 1619/4885PTPRC 3927/4885KDM4E 3176/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885PTPRC 3927/4885KDM4E 3176/4885

“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.