SCHEMBL13065348

SCHEMBL13065348

C=Cc1ccc(CNC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 1/20 0.43
NAMPT P43490 2/20 0.42
GAA P10253 1/20 0.41
KDM4A O75164 1/20 0.41
HDAC1 Q13547 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
NSD2 O96028 1/20 0.41
TSHR P16473 2/20 0.40
GLS O94925 1/20 0.40
BRD4 O60885 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL2959315 0.83 HDAC1 (0.43) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL2948900 0.83 NSD2 (0.40) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL14144563 0.81 HDAC1 (0.52) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL16104792 0.80 KDM4A (0.47) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL850268 0.80 MEN1 (0.47) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL13078679 0.80 GRM2 (0.47) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL31431173 0.80 HDAC1 (0.47) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL16020300 0.80 MMP13 (0.54) L3MBTL1GRM2NAMPTGAAKDM4A
SCHEMBL19853209 0.79 L3MBTL1 (0.51) L3MBTL1NAMPTGAAKDM4AHDAC1
SCHEMBL3897985 0.78 NR1H4 (0.62) L3MBTL1GRM2NAMPTGAAKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 L3MBTL1 4219/4885GRM2 1767/4885NAMPT 2821/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 L3MBTL1 4219/4885GRM2 1767/4885NAMPT 2821/4885

“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.