SCHEMBL17545013

SCHEMBL17545013

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.37
▸ EHMT1 Q9H9B1 1/20 0.37
▸ COMT P21964 1/20 0.36
▸ KDM5B Q9UGL1 3/20 0.34
▸ KDM4A O75164 3/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ KDM5C P41229 2/20 0.34
▸ KDM4B O94953 1/20 0.34
▸ CNOT7 Q9UIV1 1/20 0.33
▸ TBXAS1 P24557 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 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
SCHEMBL17545039 0.89 EHMT2 (0.36) EHMT2EHMT1KDM5BKDM4AHDAC6
SCHEMBL17544811 0.82 EHMT2 (0.41) EHMT2EHMT1KDM5BKDM4AHDAC6
SCHEMBL17670430 0.82 YTHDC1 (0.32) ALDH1A1
SCHEMBL17545158 0.82 EHMT2 (0.40) EHMT2EHMT1HDAC6HDAC1HDAC8
SCHEMBL17544922 0.81 EHMT2 (0.40) EHMT2KDM5BHDAC6HDAC1KDM4E
SCHEMBL17670405 0.81 EHMT2 (0.39) EHMT2EHMT1HDAC6HDAC1HDAC8
SCHEMBL17544772 0.80 EHMT2 (0.38) EHMT2HDAC6HDAC1GAAKDM4E
SCHEMBL17545011 0.79 MMP13 (0.37) KDM5BKDM4AKDM4CKDM5A
SCHEMBL17683750 0.79 EHMT2 (0.39) EHMT2EHMT1
SCHEMBL17670431 0.77 USP2 (0.39) EHMT2EHMT1GAAKDM4EALDH1A1

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 26/4885COMT 980/4885

“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