SCHEMBL17544718

SCHEMBL17544718

C/C=C\c1cnc(CNCc2cc(C(=O)OC)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ AGTR1 P30556 11/20 0.37
▸ AGTR2 P50052 3/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL17544719 1.00 TP53 (0.39) TP53MAPTPOLBP2RX3AGTR1
SCHEMBL17545097 0.91 MMP13 (0.37) TP53MAPTAGTR1AGTR2KMT2A
SCHEMBL17670336 0.91 MMP13 (0.37) TP53MAPTAGTR1AGTR2KMT2A
SCHEMBL17545098 0.91 MMP13 (0.37) TP53MAPTAGTR1AGTR2KMT2A
SCHEMBL17549941 0.86 TP53 (0.37) TP53MAPTPOLBP2RX3AGTR1
SCHEMBL17544778 0.85 TP53 (0.39) TP53MAPTPOLBP2RX3AGTR1
SCHEMBL17544774 0.84 TP53 (0.40) TP53MAPTPOLBP2RX3TLR7
SCHEMBL17544465 0.84 TP53 (0.39) TP53MAPTPOLBP2RX3TLR7
SCHEMBL17545165 0.82 CYP11B1 (0.36) TP53MAPTPOLBP2RX3AGTR1
SCHEMBL17544753 0.82 TP53 (0.36) TP53MAPTPOLBP2RX3TLR7

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 190/4885MAPT 4137/4885POLB 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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