SCHEMBL949383

SCHEMBL949383

CC(C)(C)OC(=O)CCSc1cc2cc(Cl)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.36
NR1H3 Q13133 3/20 0.36
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PAK1 Q13153 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IDO1 P14902 1/20 0.33
CCR2 P41597 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL949002 0.86 RXFP1 (0.39) LMNAL3MBTL1MEN1KMT2ACCR2
SCHEMBL5449660 0.76 GABRG2 (0.33) NR1H2LMNAL3MBTL1IDO1
SCHEMBL4389624 0.76 AKR1C3 (0.49) NR1H2NR1H3LMNAL3MBTL1MEN1
SCHEMBL18990363 0.75 NR1H2 (0.40) NR1H2NR1H3LMNAL3MBTL1ROCK2
SCHEMBL19013549 0.75 NR1H2 (0.41) NR1H2NR1H3LMNAL3MBTL1ROCK2
SCHEMBL29631993 0.75 NR1H2 (0.41) NR1H2NR1H3LMNAL3MBTL1ROCK2
SCHEMBL18851069 0.74 NR1H2 (0.40) NR1H2NR1H3LMNAL3MBTL1ROCK2
SCHEMBL4387957 0.74 NR1H2 (0.40) NR1H2NR1H3LMNAL3MBTL1ROCK2
SCHEMBL950193 0.74 MDM2 (0.38) LMNAHTTNPSR1
SCHEMBL29955454 0.72 NR1H2 (0.39) NR1H2NR1H3LMNAL3MBTL1ROCK2

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 NR1H2 67/4885NR1H3 102/4885LMNA 2660/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 NR1H2 50/4885NR1H3 76/4885LMNA 2787/4885

“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.