SCHEMBL17670483

SCHEMBL17670483

Cc1cc(C(=O)O)cc(CNCc2nnc(C3CC3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.39
▸ GNRHR P30968 1/20 0.39
▸ TP53 P04637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AGTR1 P30556 2/20 0.36
▸ AGTR2 P50052 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ GAA P10253 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
SCHEMBL17670493 0.96 MMP13 (0.38) MMP13GNRHRTP53MEN1KMT2A
SCHEMBL17544846 0.87 MMP13 (0.42) MMP13TP53MEN1KMT2AMAPT
SCHEMBL17544535 0.86 PDE6D (0.42) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670499 0.84 MMP13 (0.40) MMP13TP53MEN1KMT2AMAPT
SCHEMBL17683831 0.84 MMP13 (0.40) MMP13GNRHRTP53AGTR1AGTR2
SCHEMBL17670366 0.84 MMP13 (0.40) MMP13MAPTSMN1; SMN2AGTR1AGTR2
SCHEMBL17544971 0.84 ALDH1A1 (0.44) MMP13GNRHRTP53MEN1KMT2A
SCHEMBL17670353 0.84 MMP13 (0.40) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17680457 0.84 MMP13 (0.40) MMP13TP53MEN1KMT2ALMNA
SCHEMBL17670478 0.83 MMP13 (0.40) MMP13TP53MAPTAGTR1AGTR2

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
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
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 MMP13 397/4885GNRHR 2787/4885TP53 190/4885

“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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