SCHEMBL17545158

SCHEMBL17545158

Cc1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.40
▸ EHMT1 Q9H9B1 1/20 0.40
▸ KLKB1 P03952 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ USP2 O75604 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ TSSK1B Q9BXA7 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17544666 0.92 EHMT2 (0.44) EHMT2EHMT1KLKB1POLBL3MBTL1
SCHEMBL17544811 0.91 EHMT2 (0.41) EHMT2EHMT1KLKB1USP2LMNA
SCHEMBL17670405 0.90 EHMT2 (0.39) EHMT2EHMT1HDAC1HDAC8TSSK1B
SCHEMBL17683750 0.86 EHMT2 (0.39) EHMT2EHMT1KLKB1
SCHEMBL17670431 0.86 USP2 (0.39) EHMT2EHMT1POLBL3MBTL1USP2
SCHEMBL17544930 0.84 GRIN2D (0.32) —
SCHEMBL17670429 0.83 EHMT2 (0.41) EHMT2EHMT1KLKB1POLBUSP2
SCHEMBL17544728 0.83 EHMT2 (0.44) EHMT2EHMT1LMNAHDAC1HDAC8
SCHEMBL17545013 0.82 EHMT2 (0.37) EHMT2EHMT1POLBGAAHDAC1
SCHEMBL17544819 0.80 PDE6D (0.40) POLBL3MBTL1USP2GAAMEN1

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 EHMT2 31/4885EHMT1 26/4885KLKB1 4561/4885

“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.

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