SCHEMBL17670366

SCHEMBL17670366

Cc1cc(C(=O)O)cc(CNCc2nnc(Cc3ccccc3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PDE6D O43924 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ AGTR1 P30556 2/20 0.37
▸ AGTR2 P50052 2/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL17670478 0.92 MMP13 (0.40) MMP13PDE6DMAPTGHSRAGTR1
SCHEMBL17544535 0.90 PDE6D (0.42) MMP13PDE6DAGTR1AGTR2
SCHEMBL17544846 0.89 MMP13 (0.42) MMP13PDE6DMAPTGAASMN1; SMN2
SCHEMBL17670492 0.88 ALDH1A1 (0.41) MMP13MAPTGAAALDH1A1
SCHEMBL17670499 0.87 MMP13 (0.40) MMP13PDE6DMAPTAGTR1AGTR2
SCHEMBL17670353 0.87 MMP13 (0.40) MMP13AGTR1AGTR2
SCHEMBL17670345 0.85 MMP13 (0.39) MMP13HDAC6MAPTAGTR1AGTR2
SCHEMBL17680457 0.85 MMP13 (0.40) MMP13MAPTSMN1; SMN2AGTR1AGTR2
SCHEMBL17544971 0.85 ALDH1A1 (0.44) MMP13PDE6DMAPTGAAALDH1A1
SCHEMBL17683831 0.85 MMP13 (0.40) MMP13PDE6DAGTR1AGTR2

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 397/4885HDAC6 132/4885PDE6D 3573/4885

“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.

Send feedback