SCHEMBL4529400

SCHEMBL4529400

COc1cccc(OC(C(=O)NO)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GPR139 Q6DWJ6 2/20 0.48
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
TDP1 Q9NUW8 1/20 0.47
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
PLAU P00749 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
S1PR3 Q99500 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4538126 0.88 KLK7 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2844450 0.86 HDAC7 (0.55) MTNR1AMTNR1BKMT2A
SCHEMBL4536431 0.85 OPRM1 (0.46) MEN1KMT2ALMNA
SCHEMBL4533806 0.85 PTGS1 (0.47) TSHRMEN1KMT2ALMNA
SCHEMBL8017865 0.85 KDM4E (0.54) TSHRGPR139MTNR1AMTNR1BF9
SCHEMBL11402001 0.84 MEN1 (0.59) TSHRMTNR1AMTNR1BNPC1RAB9A
SCHEMBL4529074 0.84 HDAC8 (0.46) F10
SCHEMBL4541448 0.83 ALDH1A1 (0.49) F9F10PLAUMEN1KMT2A
SCHEMBL4534212 0.82 OGG1 (0.50) KMT2A
SCHEMBL4532634 0.82 HDAC4 (0.56) MEN1KMT2ALMNA

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 6 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

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 TSHR 3972/4885GPR139 3367/4885MTNR1A 823/4885

“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.