SCHEMBL4131602

SCHEMBL4131602

CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
HDAC11 Q96DB2 1/20 0.75
HDAC8 Q9BY41 1/20 0.75
TRPV1 Q8NER1 5/20 0.73
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NR1H4 Q96RI1 3/20 0.65
MEN1 O00255 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
KMT2A Q03164 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NAMPT P43490 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL7294845 1.00 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7303163 0.93 HDAC3 (0.86) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL23352874 0.89 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7296645 0.89 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL6459176 0.89 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3873116 0.86 NR1H4 (0.81) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7301362 0.86 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL1687867 0.86 NPC1 (0.79) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7293270 0.86 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7291713 0.86 NPC1 (0.79) HDAC3HDAC6HDAC11HDAC8TRPV1

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-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative SHIONOGI & CO., LTD. (JP) 2009-06-25 US disclosed
US-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative SHIONOGI & CO., LTD. (JP) 2009-06-25 US disclosed
US-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative SHIONOGI & CO., LTD. (JP) 2009-06-25 US disclosed
EP-1959944-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN AMIDE DERIVATIVE Shionogi Co., Ltd. (JP) 2008-08-27 EP disclosed
WO-2007069773-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN AMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-06-21 WO disclosed
WO-2007069773-A1 A PHARMACEUTICAL COMPOSITION COMPRISING AN AMIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-06-21 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-20090163549-A1 Pharmaceutical Composition Comprising an Amide Derivative TRPV1, TRPA1, TRPV2 HDAC3 344/4885HDAC6 298/4885HDAC11 665/4885

“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.