SCHEMBL4437696

SCHEMBL4437696

O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00

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
SCHEMBL4437006 0.94 PARP1 (1.00) PARP1
SCHEMBL4438190 0.91 PARP1 (1.00) PARP1
SCHEMBL4439331 0.90 PARP1 (1.00) PARP1
SCHEMBL4439228 0.90 PARP1 (1.00) PARP1
SCHEMBL4440368 0.88 PARP1 (1.00) PARP1
SCHEMBL4437984 0.88 PARP1 (1.00) PARP1
SCHEMBL4439163 0.88 PARP1 (1.00) PARP1
SCHEMBL4434880 0.87 PARP1 (1.00) PARP1
SCHEMBL4555294 0.87 PARP1 (1.00) PARP1
SCHEMBL4435906 0.86 PARP1 (1.00) PARP1

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
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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 (3 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-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 PARP1 1/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885

“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.