SCHEMBL17544968

SCHEMBL17544968

COC(=O)c1cc(CO)nc(CNCc2nnc(Cc3cccs3)n2Cc2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35

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
SCHEMBL17544998 0.91 ALDH1A1 (0.41) MAPTTP53ALDH1A1NPSR1KMT2A
SCHEMBL17544599 0.89 MAPT (0.38) MAPTTP53ALDH1A1MAPK1NPSR1
SCHEMBL17544765 0.85 TP53 (0.40) MAPTTP53ALDH1A1MAPK1NPSR1
SCHEMBL17544636 0.84 TP53 (0.40) MAPTTP53ALDH1A1MAPK1NPSR1
SCHEMBL17670492 0.84 ALDH1A1 (0.41) MAPTTP53ALDH1A1NPSR1KMT2A
SCHEMBL17683843 0.78 TP53 (0.40) MAPTTP53KMT2ALMNASMN1; SMN2
SCHEMBL17544533 0.77 TP53 (0.40) MAPTTP53NPSR1LMNASMN1; SMN2
SCHEMBL17544815 0.77 HSP90AA1 (0.39) MAPTTP53KMT2ALMNAMEN1
SCHEMBL17544604 0.77 PDE6D (0.42) MAPTTP53P2RX3AGTR1AGTR2
SCHEMBL17549942 0.76 TP53 (0.39) MAPTTP53KMT2ALMNASMN1; SMN2

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 MAPT 4137/4885TP53 190/4885ALDH1A1 802/4885

“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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