SCHEMBL4630002

SCHEMBL4630002

O=c1[nH]c2c(c3ccccc13)Cc1ccc(NCCCCCl)cc1-2

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.59

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 0.94 PARP1 (0.61) PARP1
SCHEMBL27715466 0.83 PARP1 (0.71) PARP1
SCHEMBL4067301 0.83 PARP1 (0.61) PARP1
SCHEMBL6079842 0.82 PARP1 (0.67) PARP1
SCHEMBL6080041 0.81 PARP1 (0.76) PARP1
SCHEMBL14170205 0.81 PARP1 (0.69) PARP1
SCHEMBL8273140 0.77 PARP1 (0.77) PARP1
SCHEMBL4071313 0.76 PARP1 (0.75) PARP1
SCHEMBL4066767 0.75 PARP1 (0.82) PARP1
SCHEMBL4662780 0.73 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868607-A4 ISOQUNOLINE COMPOUNDS AND METHODS OF USE THEREOF 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
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

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-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.