SCHEMBL13701730

SCHEMBL13701730

CC(C)(C)NC(=O)c1cccc(C(=O)NCC2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.69
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
POLB P06746 1/20 0.60
KDM1A O60341 1/20 0.56
MLYCD O95822 1/20 0.53
CACNA1H O95180 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP13 P45452 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1I Q9P0X4 1/20 0.50
HTT P42858 1/20 0.50
CA2 P00918 1/20 0.49

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
SCHEMBL10722330 0.89 MEN1 (0.81) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL27383406 0.82 MEN1 (0.71) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL22972218 0.81 MEN1 (0.74) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL2917118 0.80 TDP1 (0.68) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL5967753 0.80 MEN1 (0.71) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL29836780 0.80 MEN1 (1.00) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL13701732 0.80 RAB9A (0.68) KDM1ASMN1; SMN2HTT
Methyl Alcohol SCHEMBL11518093 0.79 SMN1; SMN2 (0.72) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL1927570 0.78 MEN1 (0.83) HDAC6KMT2AMEN1POLBMLYCD
SCHEMBL25123079 0.78 SMN1; SMN2 (0.76) HDAC6KMT2AMEN1POLBMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX HDAC6 3863/4885KMT2A 3792/4885MEN1 4409/4885

“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.