SCHEMBL17544772

SCHEMBL17544772

COC(=O)c1cc(CNCc2nncn2CCCc2ccccc2)nc(COC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ EP300 Q09472 2/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CES1 P23141 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL17545013 0.80 EHMT2 (0.37) EHMT2KDM4EHPGDALDH1A1HDAC1
SCHEMBL17545039 0.79 EHMT2 (0.36) EHMT2KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL17544728 0.74 EHMT2 (0.44) EHMT2KDM4EHPGDLMNACES1
SCHEMBL17544666 0.74 EHMT2 (0.44) EHMT2KDM4ELMNACES1KMT2A
SCHEMBL17549909 0.73 EHMT2 (0.41) EHMT2KDM4EHPGDLMNADGAT1
SCHEMBL17545015 0.73 EHMT2 (0.40) EHMT2KDM4EHPGDLMNADGAT1
SCHEMBL17545122 0.71 EHMT2 (0.41) EHMT2KDM4EHPGDLMNAEP300
SCHEMBL17544842 0.71 CNR2 (0.33) ALDH1A1
SCHEMBL17544815 0.70 HSP90AA1 (0.39) LMNAKMT2A
SCHEMBL17544714 0.70 HPGD (0.42) KDM4EHPGDLMNAALDH1A1SMN1; 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 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 31/4885KDM4E 8/4885HPGD 875/4885

“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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