SCHEMBL5453441

SCHEMBL5453441

COC(=O)c1ccc2cc(CN(C)C)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
PSMB8 P28062 1/20 0.47
CREBBP Q92793 1/20 0.45
CYP2D6 P10635 2/20 0.43
PRMT1 Q99873 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
Oxalic Acid SCHEMBL5444728 0.96 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5440808 0.89 TP53 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5031812 0.85 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL31683272 0.84 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5438655 0.84 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL31683118 0.84 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5442147 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5030987 0.83 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5030400 0.83 HDAC6 (0.51) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL5031390 0.82 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC2HDAC8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
WO-2005040157-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-05-06 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-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R HDAC6 1655/4885HDAC1 2127/4885HDAC3 2603/4885

“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.