SCHEMBL17680453

SCHEMBL17680453

COc1nnc(CNCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.39
▸ LMNA P02545 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ P2RX3 P56373 2/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ YWHAH Q04917 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 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
SCHEMBL17680457 0.93 MMP13 (0.40) TP53LMNAMMP13NPSR1
SCHEMBL17670487 0.84 TP53 (0.40) TP53LMNAMMP13NPSR1POLB
SCHEMBL17544846 0.80 MMP13 (0.42) TP53MMP13GAAL3MBTL1ALDH1A1
SCHEMBL17544535 0.80 PDE6D (0.42) TP53MMP13
SCHEMBL17670503 0.79 PPARG (0.43) —
SCHEMBL17683831 0.77 MMP13 (0.40) TP53MMP13
SCHEMBL17544971 0.77 ALDH1A1 (0.44) TP53MMP13GAAALDH1A1POLB
SCHEMBL17670353 0.77 MMP13 (0.40) TP53MMP13
SCHEMBL17670366 0.77 MMP13 (0.40) MMP13GAAALDH1A1
SCHEMBL17670499 0.77 MMP13 (0.40) TP53MMP13

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 2 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-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 TP53 190/4885LMNA 1590/4885MMP13 397/4885

“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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