SCHEMBL16226567

SCHEMBL16226567

CC(C)(C)OC(=O)NCCOc1c(-c2ccc(N3CCOCC3)c(Br)c2)[nH]c(=O)c2cc(F)ccc12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.71
PARP3 Q9Y6F1 11/20 0.71
PARP2 Q9UGN5 7/20 0.71
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38

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
SCHEMBL16227079 0.90 PARP1 (0.68) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL14976885 0.90 PARP1 (0.77) PARP1PARP3PARP2
SCHEMBL16227289 0.84 PARP1 (0.67) PARP1PARP3PARP2
SCHEMBL30417995 0.83 PARP1 (1.00) PARP1PARP3PARP2
SCHEMBL14976192 0.83 PARP1 (1.00) PARP1PARP3PARP2
SCHEMBL16227155 0.83 PARP1 (0.61) PARP1PARP3PARP2CYP1A1CYP2D6
Hydrochloric Acid SCHEMBL14977135 0.83 PARP1 (0.98) PARP1PARP3PARP2
SCHEMBL16227217 0.82 PARP1 (0.67) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16227242 0.82 PARP1 (0.64) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16226563 0.81 PARP1 (0.67) PARP1PARP3PARP2CYP1A1CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788328-B1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-01-31 EP disclosed
US-9422243-B2 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. a corporation (IT) 2016-08-23 US disclosed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 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 (1 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-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP3 4/4885PARP2 2/4885

“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.