SCHEMBL17545122

SCHEMBL17545122

COC(=O)c1cc(C)nc(CN(C)c2nncn2CCCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EP300 Q09472 3/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ MGLL Q99685 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
SCHEMBL17544922 0.83 EHMT2 (0.40) EHMT2KDM4EALDH1A1LMNAHDAC6
SCHEMBL17545039 0.74 EHMT2 (0.36) EHMT2KDM4EALDH1A1HDAC6SMN1; SMN2
SCHEMBL17544772 0.71 EHMT2 (0.38) EHMT2KDM4EALDH1A1LMNAHDAC6
SCHEMBL17544666 0.65 EHMT2 (0.44) EHMT2KDM4ELMNAMEN1KMT2A
SCHEMBL1555363 0.65 PDE4A (0.63) EHMT2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5318226 0.64 HDAC6 (0.77) EHMT2KDM4EALDH1A1LMNAHDAC6
SCHEMBL17544728 0.64 EHMT2 (0.44) EHMT2KDM4ELMNAHDAC6HPGD
SCHEMBL17670429 0.64 EHMT2 (0.41) EHMT2ALDH1A1LMNAHDAC6NPSR1
SCHEMBL17545013 0.64 EHMT2 (0.37) EHMT2KDM4EALDH1A1HDAC6HPGD
SCHEMBL24435304 0.63 NPC1 (0.48) EHMT2KDM4EALDH1A1HDAC6NPSR1

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
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
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 8/4885ALDH1A1 802/4885

“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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