SCHEMBL16226563

SCHEMBL16226563

CC(C)(C)OC(=O)NCCOc1c(-c2ccc3c(c2)OCO3)[nH]c(=O)c2cc(F)ccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.67
PARP3 Q9Y6F1 11/20 0.59
PARP2 Q9UGN5 7/20 0.44
CYP1A1 P04798 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A43 Q9HB55 1/20 0.39
MAPK1 P28482 1/20 0.37
MAP2K4 P45985 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
MAPK6 Q16659 1/20 0.37

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
SCHEMBL16227217 0.95 PARP1 (0.67) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16227155 0.88 PARP1 (0.61) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16227242 0.86 PARP1 (0.64) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16227584 0.85 PARP1 (0.63) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL853576 0.84 PARP1 (0.55) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL15468106 0.84 PARP1 (0.53) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16227250 0.83 PARP1 (0.67) PARP1PARP3PARP2CYP1A1CYP2D6
SCHEMBL16227005 0.83 PARP1 (0.68) PARP1PARP3PARP2
SCHEMBL14975987 0.83 PARP1 (0.73) PARP1PARP3PARP2MAPK1
SCHEMBL16227419 0.82 PARP1 (0.52) PARP1PARP3PARP2

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
US-10189930-B2 Polymeric photoinitiators ALLNEX BELGIUM S.A. (BE) 2019-01-29 US disclosed
EP-2804849-B1 AMINO PHOTO-REACTIVE BINDER ALLNEX Belgium SA (BE) 2018-06-27 EP disclosed
US-10005717-B2 Photo-reactive binder ALLNEX BELGIUM S.A. (BE) 2018-06-26 US disclosed
US-10000446-B2 Amino photo-reactive binder ALLNEX BELGIUM S.A. (BE) 2018-06-19 US disclosed
EP-2788328-B1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-01-31 EP disclosed
EP-3024858-B1 POLYMERIC PHOTOINITIATORS ALLNEX Belgium SA (BE) 2017-10-18 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
EP-2804914-B1 PHOTO-REACTIVE BINDER ALLNEX Belgium SA (BE) 2016-07-20 EP disclosed
US-20160130380-A1 POLYMERIC PHOTOINITIATORS ALLNEX BELGIUM S.A. (BE) 2016-05-12 US disclosed
US-20140335327-A1 AMINO PHOTO-REACTIVE BINDER ALLNEX BELGIUM S.A. (BE) 2014-11-13 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
US-20140335326-A1 PHOTO-REACTIVE BINDER ALLNEX BELGIUM S.A. (BE) 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 (5 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-20140335327-A1 AMINO PHOTO-REACTIVE BINDER ADGRE5, METTL14, CD79B PARP1 1452/4885PARP3 2272/4885PARP2 2913/4885
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP3 4/4885PARP2 2/4885
US-10000446-B2 Amino photo-reactive binder ADGRE5, GP6, CD79B PARP1 1411/4885PARP3 2256/4885PARP2 2889/4885
US-10005717-B2 Photo-reactive binder CD79B, ADGRE5, GP6 PARP1 1272/4885PARP3 1737/4885PARP2 2362/4885
US-20140335326-A1 PHOTO-REACTIVE BINDER CD79B, ADGRE5, GP6 PARP1 1272/4885PARP3 1737/4885PARP2 2362/4885

“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.