SCHEMBL10241735

SCHEMBL10241735

CCN1CCC(COP(=O)(O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.35
FBP1 P09467 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL12537075 0.81 NCF1 (0.42) FBP1HRH3ACHELPAR3LPAR1
SCHEMBL3430978 0.81 SLC18A3 (0.37) SMN1; SMN2FBP1KDM4EKMT2AHSD11B1
SCHEMBL3430974 0.81 FBP1 (0.34) FBP1
SCHEMBL3429541 0.78 SIGMAR1 (0.33) FBP1ACHECHRM3
SCHEMBL3429542 0.78 MAOB (0.40) FBP1HRH3ACHECHRM3
SCHEMBL11520489 0.78
SCHEMBL10240791 0.77 HRH3 (0.38) FBP1HRH3
SCHEMBL3429348 0.74 FBP1 (0.43) FBP1
SCHEMBL10241703 0.74 SMN1; SMN2 (0.44) SMN1; SMN2EPHX1EPHX2KDM4EMEN1
SCHEMBL12188159 0.72 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1EPHX2HRH3

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 7 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-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (4 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 SMN1; SMN2 18/4885EPHX1 552/4885EPHX2 1374/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS SMN1; SMN2 18/4885EPHX1 552/4885EPHX2 1374/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS SMN1; SMN2 18/4885EPHX1 552/4885EPHX2 1374/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS SMN1; SMN2 18/4885EPHX1 552/4885EPHX2 1374/4885

“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.