SCHEMBL17670429

SCHEMBL17670429

CCc1nnc(CNCc2cc(C(=O)O)cc(C)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 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ KLKB1 P03952 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSSK1B Q9BXA7 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ VCP P55072 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ GRK5 P34947 1/20 0.35

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
SCHEMBL17544811 0.90 EHMT2 (0.41) EHMT2EHMT1HDAC1HDAC6HDAC11
SCHEMBL17549943 0.87 EHMT2 (0.38) EHMT2EHMT1HDAC1HDAC6HDAC11
SCHEMBL17544618 0.84 EHMT2 (0.36) EHMT2EHMT1HDAC1HDAC6HDAC11
SCHEMBL17545158 0.83 EHMT2 (0.40) EHMT2EHMT1HDAC1HDAC6HDAC8
SCHEMBL17545039 0.83 EHMT2 (0.36) EHMT2EHMT1HDAC1HDAC6SMN1; SMN2
SCHEMBL17544728 0.82 EHMT2 (0.44) EHMT2EHMT1HDAC1HDAC6HDAC11
SCHEMBL17670491 0.81 HDAC1 (0.35) HDAC1HDAC6HDAC11HDAC8HDAC2
SCHEMBL17670494 0.81 HDAC1 (0.35) HDAC1HDAC6HDAC11HDAC8HDAC2
SCHEMBL17670405 0.81 EHMT2 (0.39) EHMT2EHMT1HDAC1HDAC6HDAC8
SCHEMBL17549921 0.81 CASR (0.37) HDAC1HDAC6HDAC11HDAC8SMN1; SMN2

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 4 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
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

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.

Send feedback