SCHEMBL9930280

SCHEMBL9930280

COc1ccc(C(=O)COc2ccccc2C(N)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
ALDH1A1 P00352 1/20 0.67
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
PARP1 P09874 1/20 0.52
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5947939 0.87 NPC1 (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL854589 0.85 MAPT (0.67) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL855090 0.85 MAPT (0.78) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL854200 0.84 MAPT (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6203140 0.83 MAPT (0.74) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31357489 0.80 NPC1 (0.65) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30849274 0.80 PARP1 (0.71) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9369487 0.80 NPC1 (0.65) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7168347 0.77 MAPT (0.71) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21100591 0.77 MAPT (0.73) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 1619/4885ALDH1A1 299/4885NPC1 2797/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885ALDH1A1 299/4885NPC1 2797/4885

“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.