SCHEMBL854614

SCHEMBL854614

COc1ccc(C2=COc3ccccc3C(=O)N2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTPN1 P18031 1/20 0.42
OPRD1 P41143 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TTR P02766 1/20 0.41
GAA P10253 1/20 0.41
LRRK2 Q5S007 1/20 0.41
ACHE P22303 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL853976 0.85 MAPT (0.74) MAPTHDAC4HDAC8NPC1RAB9A
SCHEMBL853543 0.83 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1GAALRRK2
SCHEMBL853592 0.81 MAPT (0.68) MAPTNPC1RAB9AALOX5ALDH1A1
SCHEMBL854623 0.72 MAPT (0.57) MAPTALDH1A1GSK3BTDP1CYP19A1
SCHEMBL6170504 0.72 MAPT (0.55) MAPTTP53ALDH1A1LRRK2GSK3B
SCHEMBL9930336 0.71 MAPT (0.56) MAPTTP53GAAGSK3BTDP1
SCHEMBL13176556 0.71 MAPT (0.55) MAPTHDAC4HDAC2HDAC8PTPN1
SCHEMBL9274293 0.69 MAPT (0.54) MAPTTP53SMN1; SMN2ALDH1A1GAA
SCHEMBL7468086 0.68 MAPT (0.51) MAPTALDH1A1GAALRRK2GSK3B
SCHEMBL7464237 0.68 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 1619/4885HDAC4 1049/4885HDAC2 130/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885HDAC4 1049/4885HDAC2 130/4885

“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.