SCHEMBL949184

SCHEMBL949184

CCN(CCC(=O)OC(C)(C)C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSK P43235 1/20 0.30
STING1 Q86WV6 1/20 0.30

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
SCHEMBL948980 0.87 CA12 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL950819 0.84 LMNA (0.36) L3MBTL1HDAC6HDAC1HDAC2CA14
SCHEMBL949265 0.82 LMNA (0.39) L3MBTL1HDAC6HDAC1HDAC2CA14
SCHEMBL2607007 0.81 MEN1 (0.45) L3MBTL1HDAC6HDAC1HDAC2CA14
SCHEMBL18195629 0.79 MEN1 (0.36) L3MBTL1HDAC6HDAC1HDAC2CA14
SCHEMBL29191663 0.77 CYP1A2 (0.44) L3MBTL1CA12CA1ALDH1A1ALDH2
SCHEMBL948960 0.77 MEN1 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL9199990 0.76 KMT2A (0.37) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL23546635 0.76 CA12 (0.34) L3MBTL1HDAC6HDAC1HDAC2CA14
SCHEMBL12314879 0.76 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 L3MBTL1 2949/4885HDAC6 743/4885HDAC1 40/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 L3MBTL1 2955/4885HDAC6 662/4885HDAC1 36/4885

“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.