SCHEMBL853151

SCHEMBL853151

O=c1[nH]c(-c2ccccc2)c(OCCN2CCCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
HTR2A P28223 3/20 0.48
HTR2C P28335 2/20 0.48
DRD2 P14416 1/20 0.47
BACE1 P56817 1/20 0.46
PARP1 P09874 3/20 0.46
PARP2 Q9UGN5 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SERPINE1 P05121 1/20 0.44
ITGA4 P13612 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL854313 0.99 HTR2A (0.49) LTA4HHTR2AHTR2CDRD2BACE1
SCHEMBL855098 0.94 HRH3 (0.51) HTR2AHTR2CDRD2PARP1PARP2
SCHEMBL853477 0.93 HRH3 (0.52) HTR2AHTR2CDRD2PARP1KDM4E
SCHEMBL853866 0.90 POLB (0.47) LTA4HHTR2APARP1PARP2KDM4E
SCHEMBL854321 0.90 LTA4H (0.46) LTA4HHTR2APARP1PARP2KDM4E
Hydrochloric Acid SCHEMBL853218 0.89 LTA4H (0.45) LTA4HHTR2APARP1PARP2KDM4E
SCHEMBL854726 0.89 NPC1 (0.52) LTA4HPARP1PARP2KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9930163 0.89 POLB (0.47) LTA4HHTR2APARP1PARP2KDM4E
SCHEMBL853850 0.85 DRD3 (0.47) DRD2KDM4ESERPINE1
SCHEMBL855115 0.85 SERPINE1 (0.55) LTA4HBACE1KDM4ESERPINE1HRH3

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 12 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 claimed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US claimed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 US claimed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP claimed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 WO claimed
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 LTA4H 3327/4885HTR2A 866/4885HTR2C 1422/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 LTA4H 3327/4885HTR2A 866/4885HTR2C 1422/4885

“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.