SCHEMBL10241147

SCHEMBL10241147

CCN1CCN(CCOP(=O)(O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.42
LPAR2 Q9HBW0 5/20 0.42
LPAR1 Q92633 4/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 6/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL22213099 0.89 LPAR3 (0.47) LPAR3LPAR2LPAR1ALDH1A1KMT2A
SCHEMBL16300835 0.86 LPAR3 (0.39) LPAR3LPAR2LPAR1ALDH1A1KDM4E
SCHEMBL13400473 0.85 LPAR3 (0.53) LPAR3LPAR2LPAR1
SCHEMBL14407788 0.82 ALDH1A1 (0.41) LPAR3LPAR2LPAR1ALDH1A1KMT2A
SCHEMBL3428966 0.82 ALDH1A1 (0.41) LPAR3LPAR2LPAR1ALDH1A1KMT2A
SCHEMBL3428964 0.82 LPAR3 (0.35) LPAR3LPAR2LPAR1
SCHEMBL7521230 0.82 MAPT (0.45) LPAR3LPAR2LPAR1ALDH1A1KMT2A
SCHEMBL10175171 0.80 DAO (0.38) LPAR3LPAR2LPAR1ALDH1A1KDM4E
SCHEMBL3434049 0.79 LPAR3 (0.37) LPAR3LPAR2LPAR1
SCHEMBL3434052 0.79 LMNA (0.40) LPAR3LPAR2LPAR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481571-B2 Anti-coronavirus compounds ACADEMIA SINICA (TW) 2013-07-09 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO 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

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 LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS LPAR3 2453/4885LPAR2 2408/4885LPAR1 2868/4885

“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.