SCHEMBL17544550

SCHEMBL17544550

CCc1nnc(CNCc2cc(C(=O)OC)cc(CO[Si](C)(C)C(C)(C)C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.38
▸ TP53 P04637 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ P2RX3 P56373 4/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ TLR7 Q9NYK1 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
SCHEMBL17544576 0.92 TP53 (0.37) PDE6DTP53POLBMAPTP2RX3
SCHEMBL17544599 0.88 MAPT (0.38) TP53POLBMAPTLMNASMN1; SMN2
SCHEMBL17544765 0.87 TP53 (0.40) PDE6DTP53POLBMAPTP2RX3
SCHEMBL17544533 0.85 TP53 (0.40) PDE6DTP53POLBMAPTP2RX3
SCHEMBL17544982 0.85 HSP90AA1 (0.36) TP53POLBMAPTP2RX3LMNA
SCHEMBL17549909 0.83 EHMT2 (0.41) MAPTLMNATLR7
SCHEMBL17544737 0.81 TP53 (0.37) TP53POLBMAPTP2RX3LMNA
SCHEMBL17683839 0.80 MAPT (0.36) TP53POLBMAPTSMN1; SMN2GRM2
SCHEMBL17544716 0.79 GRM2 (0.37) TP53POLBMAPTSMN1; SMN2GRM2
SCHEMBL17544568 0.78 HSP90AA1 (0.41) TP53POLBMAPTLMNAGRM2

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 PDE6D 3573/4885TP53 190/4885POLB 637/4885

“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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