SCHEMBL6421064

SCHEMBL6421064

CC(C)(C)c1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.59
EPHX2 P34913 13/20 0.59
HDAC3 O15379 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL5972423 0.88 TRPV1 (0.51) NR1H4EPHX2HDAC3HDAC8HDAC6
SCHEMBL5972503 0.86 ESRRB (0.48) NR1H4EPHX2
SCHEMBL3928617 0.82 ALDH1A1 (0.59) NR1H4EPHX2MEN1KMT2ACYP2C19
SCHEMBL2246757 0.81 PDE2A (0.46) EPHX2MEN1KMT2ARAB9ALMNA
SCHEMBL27400013 0.77 IMPDH2 (0.51) NR1H4EPHX2MEN1KMT2ARAB9A
SCHEMBL5973321 0.77 MAPT (0.67) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL4132019 0.77 TRPV1 (0.56)
SCHEMBL27402401 0.77 METTL3 (0.49) HDAC3HDAC8HDAC6MEN1KMT2A
SCHEMBL10209975 0.76 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1
SCHEMBL5972600 0.76 HDAC3 (0.54) HDAC3HDAC8HDAC6KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004133-A1 Modulators of VR1 receptor VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 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-20050004133-A1 Modulators of VR1 receptor TRPV1, TRPV2, TRPV3 NR1H4 417/4885EPHX2 3832/4885HDAC3 2978/4885

“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.