SCHEMBL4539717

SCHEMBL4539717

Cc1ccc(OC(C(=O)NO)c2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MMP8 P22894 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4533774 0.80 HDAC7 (0.46) ALDH1A1POLBMMP8KDM4EHDAC3
SCHEMBL4537890 0.80 CRHR1 (0.42) PKMALDH1A1MMP8KDM4EHDAC3
SCHEMBL4536431 0.73 OPRM1 (0.46) KMT2AMMP8HDAC3HDAC1HDAC2
SCHEMBL19002333 0.73 NUDT1 (0.42) KMT2AALDH1A1POLBKDM4EHSD17B10
SCHEMBL2844450 0.73 HDAC7 (0.55) KMT2AALDH1A1MMP8KDM4EHDAC3
SCHEMBL4536701 0.73 MMP8 (0.48) KMT2AMMP8HDAC3HDAC1HDAC2
SCHEMBL4541579 0.72 ALDH1A1 (0.47) PKMKMT2AALDH1A1MMP8KDM4E
SCHEMBL4529807 0.72 ALDH1A1 (0.50) PKMKMT2AALDH1A1MMP8HDAC3
SCHEMBL4541539 0.70 MEN1 (0.50) KMT2AALDH1A1MMP8KDM4EHDAC3
SCHEMBL4538126 0.70 KLK7 (0.53) KMT2AALDH1A1POLBKDM4EHDAC3

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 PKM 457/4885KMT2A 58/4885ALDH1A1 532/4885

“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.