SCHEMBL17544774

SCHEMBL17544774

COC(=O)c1cc(C)nc(CNCc2ncc(SC)n2Cc2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ P2RX3 P56373 3/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90B1 P14625 1/20 0.34
▸ DCTPP1 Q9H773 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
SCHEMBL17544961 0.91 MMP13 (0.38) TP53POLBMAPTCES2KMT2A
SCHEMBL17544778 0.87 TP53 (0.39) TP53POLBMAPTP2RX3LMNA
SCHEMBL17549933 0.86 TP53 (0.36) TP53POLBMAPTP2RX3LMNA
SCHEMBL17544465 0.85 TP53 (0.39) TP53POLBMAPTP2RX3LMNA
SCHEMBL17544502 0.85 ALDH1A1 (0.44) TP53POLBMAPTP2RX3LMNA
SCHEMBL17544718 0.84 TP53 (0.39) TP53POLBMAPTP2RX3TLR7
SCHEMBL17544719 0.84 TP53 (0.39) TP53POLBMAPTP2RX3TLR7
SCHEMBL17544753 0.83 TP53 (0.36) TP53POLBMAPTP2RX3TLR7
SCHEMBL17545165 0.83 CYP11B1 (0.36) TP53POLBMAPTP2RX3LMNA
SCHEMBL17544934 0.83 TP53 (0.41) TP53POLBMAPTP2RX3LMNA

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 TP53 190/4885POLB 637/4885MAPT 4137/4885

“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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