SCHEMBL8307734

SCHEMBL8307734

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.67
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA4 P22748 4/20 0.49
CA6 P23280 4/20 0.49

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
SCHEMBL10263708 0.87 PARP1 (0.67) PARP1CA1CA2CA4CA6
SCHEMBL4078284 0.81 PARP1 (1.00) PARP1CA1CA2CA4CA6
SCHEMBL3059082 0.80 PARP1 (0.42) PARP1CA1CA2CA4CA6
SCHEMBL14079321 0.80 PARP1 (0.72) PARP1CA1CA2CA4CA6
SCHEMBL13376139 0.80 PARP1 (0.72) PARP1CA1CA2CA4CA6
SCHEMBL14169785 0.79 PARP1 (0.67) PARP1CA1CA2CA4CA6
SCHEMBL2763222 0.78 PARP1 (0.70) PARP1CA1CA2CA4CA6
SCHEMBL2763098 0.78 PARP1 (0.77) PARP1CA1CA2CA4CA6
SCHEMBL4066767 0.77 PARP1 (0.82) PARP1
SCHEMBL13377550 0.77 PARP1 (0.69) PARP1CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
WO-2004078712-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2004-09-16 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 (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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS PARP1 188/4885CA1 4454/4885CA2 4442/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS PARP1 188/4885CA1 4454/4885CA2 4442/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS PARP1 188/4885CA1 4454/4885CA2 4442/4885

“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.