SCHEMBL4067301

SCHEMBL4067301

O=c1[nH]c2c(c3ccccc13)Cc1cc(NCCCCBr)ccc1-2

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.61

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
SCHEMBL4066215 0.89 PARP1 (0.61) PARP1
SCHEMBL8272692 0.84 PARP1 (0.78) PARP1
SCHEMBL4630002 0.83 PARP1 (0.59) PARP1
SCHEMBL4071313 0.82 PARP1 (0.75) PARP1
SCHEMBL4725390 0.78 PARP1 (0.66) PARP1
SCHEMBL4066767 0.77 PARP1 (0.82) PARP1
SCHEMBL6079842 0.76 PARP1 (0.67) PARP1
SCHEMBL6080430 0.76 PARP1 (1.00) PARP1
SCHEMBL27715458 0.75 PARP1 (0.76) PARP1
SCHEMBL14170205 0.75 PARP1 (0.69) 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
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 EP disclosed
EP-1868607-A4 ISOQUNOLINE COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1868607-A2 ISOQUNOLINE COMPOUNDS AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2007-12-26 EP disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
US-20060287313-A1 Isoquinoline compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-12-21 US disclosed
WO-2006093666-A2 ISOQUNOLINE COMPOUNDS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-09-08 WO disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence INOTEK PHARMACEUTICAL, CORP. (US) 2006-01-26 US disclosed
US-20050228007-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-10-13 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 (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-20050228007-A1 Isoquinoline derivatives and methods of use thereof GLS, PINK1, PARK7 PARP1 327/4885
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence PDE3A, PDE3B, PDE5A PARP1 1715/4885
US-20060287313-A1 Isoquinoline compounds and methods of use thereof GLS, PINK1, PARK7 PARP1 256/4885

“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.