SCHEMBL17544811

SCHEMBL17544811

CCc1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.41
▸ EHMT1 Q9H9B1 1/20 0.41
▸ HDAC1 Q13547 5/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC2 Q92769 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ CACNA2D1 P54289 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ TSSK1B Q9BXA7 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL17544728 0.92 EHMT2 (0.44) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17545158 0.91 EHMT2 (0.40) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17670429 0.90 EHMT2 (0.41) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17670405 0.89 EHMT2 (0.39) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17544618 0.86 EHMT2 (0.36) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17544969 0.85 GRIN2D (0.32) —
SCHEMBL17683750 0.85 EHMT2 (0.39) EHMT2EHMT1KLKB1
SCHEMBL17670431 0.85 USP2 (0.39) EHMT2EHMT1USP2LMNAMEN1
SCHEMBL17544666 0.83 EHMT2 (0.44) EHMT2EHMT1HDAC1HDAC8KLKB1
SCHEMBL17545013 0.82 EHMT2 (0.37) EHMT2EHMT1HDAC1HDAC8HDAC6

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 26/4885HDAC1 29/4885

“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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