SCHEMBL17544728

SCHEMBL17544728

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.44
▸ TLR7 Q9NYK1 4/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CYP4A11 Q02928 3/20 0.36
▸ CYP4F2 P78329 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CES1 P23141 2/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 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) EHMT2TLR7HDAC1HDAC8MAPK8
SCHEMBL17544811 0.92 EHMT2 (0.41) EHMT2HDAC1HDAC8HDAC11HDAC6
SCHEMBL17549909 0.87 EHMT2 (0.41) EHMT2TLR7HDAC1HDAC8HDAC11
SCHEMBL17545158 0.83 EHMT2 (0.40) EHMT2HDAC1HDAC8HDAC6KDM4E
SCHEMBL17670429 0.82 EHMT2 (0.41) EHMT2HDAC1HDAC8HDAC11HDAC6
SCHEMBL17670405 0.80 EHMT2 (0.39) EHMT2HDAC1HDAC8HDAC6MAPT
SCHEMBL17544765 0.80 TP53 (0.40) TLR7HDAC1HDAC8HDAC11HDAC6
SCHEMBL17544618 0.80 EHMT2 (0.36) EHMT2HDAC1HDAC8HDAC11HDAC6
SCHEMBL17545015 0.80 EHMT2 (0.40) EHMT2TLR7MAPK8CACNA2D1KDM4E
SCHEMBL17544969 0.77 GRIN2D (0.32) —

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 31/4885TLR7 4031/4885HDAC1 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