SCHEMBL526412

SCHEMBL526412

CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.64
PRAP1 Q96NZ9 1/20 0.60

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
SCHEMBL527039 0.91 PARP1 (0.70) PARP1PRAP1
SCHEMBL12468373 0.91 PARP1 (0.72) PARP1PRAP1
SCHEMBL524411 0.90 PARP1 (0.69) PARP1PRAP1
SCHEMBL526700 0.90 PARP1 (0.69) PARP1PRAP1
SCHEMBL527641 0.90 PARP1 (0.69) PARP1PRAP1
SCHEMBL14977748 0.90 PARP1 (0.54) PARP1PRAP1
SCHEMBL524848 0.88 PARP1 (0.64) PARP1PRAP1
SCHEMBL14974208 0.88 PARP1 (0.68) PARP1PRAP1
SCHEMBL17544376 0.86 PARP1 (0.80) PARP1
SCHEMBL524694 0.86 PARP1 (0.62) PARP1PRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598491-B1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LTD (IN) 2015-09-02 EP claimed
US-8871765-B2 Substituted 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one derivatives as poly (ADP-ribose) polymerase-1 inhibitors CADILA HEALTHCARE LIMITED (IN) 2014-10-28 US claimed
EP-2598491-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS Cadila Healthcare Limited (IN) 2013-06-05 EP claimed
US-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2013-05-30 US claimed
WO-2012014221-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2012-02-02 WO claimed
EP-2598491-B1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LTD (IN) 2015-09-02 EP disclosed
US-8871765-B2 Substituted 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one derivatives as poly (ADP-ribose) polymerase-1 inhibitors CADILA HEALTHCARE LIMITED (IN) 2014-10-28 US disclosed
EP-2598491-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS Cadila Healthcare Limited (IN) 2013-06-05 EP disclosed
US-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2013-05-30 US disclosed
WO-2012014221-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1- CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE- 1 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2012-02-02 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 (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-20130137695-A1 SUBSTITUTED 4-(4-FLUORO-3-(PIPERAZINE-1-CARBONYL)BENZYL)PHTHALAZIN-1(2H)-ONE DERIVATIVES AS POLY (ADP-RIBOSE) POLYMERASE-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PRAP1 591/4885

“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.