SCHEMBL17544863

SCHEMBL17544863

CCc1nnc(CNCc2cc(C(=O)O)c(C)c(CO[Si](C)(C)C(C)(C)C)n2)n1CCCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ TACR1 P25103 1/20 0.33
▸ KLKB1 P03952 3/20 0.33
▸ CACNA2D1 P54289 1/20 0.31
▸ EHMT2 Q96KQ7 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ EHMT1 Q9H9B1 1/20 0.31
▸ PLA2G2A P14555 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL17544618 0.86 EHMT2 (0.36) HDAC1HDAC8HDAC6HDAC11TACR1
SCHEMBL17549909 0.83 EHMT2 (0.41) HDAC1HDAC8HDAC6HDAC11CACNA2D1
SCHEMBL17545015 0.78 EHMT2 (0.40) CACNA2D1EHMT2POLBPLA2G2AUSP2
SCHEMBL17670429 0.75 EHMT2 (0.41) HDAC1HDAC8HDAC6HDAC11KLKB1
SCHEMBL17544811 0.73 EHMT2 (0.41) HDAC1HDAC8HDAC6HDAC11KLKB1
SCHEMBL17544728 0.71 EHMT2 (0.44) HDAC1HDAC8HDAC6HDAC11CACNA2D1
SCHEMBL17545158 0.68 EHMT2 (0.40) HDAC1HDAC8HDAC6KLKB1EHMT2
SCHEMBL17544550 0.66 PDE6D (0.38) POLBSMN1; SMN2
SCHEMBL17544666 0.66 EHMT2 (0.44) HDAC1HDAC8KLKB1EHMT2POLB
SCHEMBL17670405 0.65 EHMT2 (0.39) HDAC1HDAC8HDAC6EHMT2EHMT1

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 HDAC1 29/4885HDAC8 19/4885HDAC6 132/4885

“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