SCHEMBL17670491

SCHEMBL17670491

CCc1nnc(CNCc2cc(C(=O)O)cc(C)n2)n1C/C=C/c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PDE8A O60658 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL17670494 1.00 HDAC1 (0.35) HDAC1HDAC8HDAC6LMNATSHR
SCHEMBL17670332 0.83 ALDH1A1 (0.34) HDAC1HDAC8HDAC6LMNATSHR
SCHEMBL17683817 0.83 ALDH1A1 (0.34) HDAC1HDAC8HDAC6LMNATSHR
SCHEMBL17670429 0.81 EHMT2 (0.41) HDAC1HDAC8HDAC6LMNAHDAC2
SCHEMBL17544535 0.77 PDE6D (0.42) PPARG
SCHEMBL17683830 0.75 PPARG (0.37) PPARG
SCHEMBL17670490 0.75 MAPT (0.35) —
SCHEMBL17544811 0.71 EHMT2 (0.41) HDAC1HDAC8HDAC6LMNAHDAC2
SCHEMBL17670366 0.71 MMP13 (0.40) HDAC6ALDH1A1HTT
SCHEMBL17670478 0.70 MMP13 (0.40) TSHR

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
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US 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

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