SCHEMBL950193

SCHEMBL950193

CC(=O)N(C)Cc1c(SCCC(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.38
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 3/20 0.33
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
HTR6 P50406 1/20 0.32
CNR2 P34972 1/20 0.30
AKR1C3 P42330 1/20 0.30
PPARG P37231 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
SCHEMBL5449660 0.82 GABRG2 (0.33) MDM2LMNAPTGS2GABRG2GABRB3
SCHEMBL951206 0.77 MDM2 (0.37) MDM2LMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL948678 0.75 MDM2 (0.39) MDM2LMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL949383 0.74 NR1H2 (0.36) LMNAHTTNPSR1
SCHEMBL949818 0.73 MDM2 (0.34) MDM2PTGS2
SCHEMBL19952435 0.69 AKR1C4 (0.39) LMNAPTGS2GABRG2GABRB3GABRA5
SCHEMBL21724391 0.69 GABRG2 (0.38) LMNANPSR1PTGS2GABRG2GABRB3
SCHEMBL31665984 0.69 GABRG2 (0.38) LMNANPSR1PTGS2GABRG2GABRB3
SCHEMBL949002 0.67 RXFP1 (0.39) LMNAGABRG2GABRB3GABRA5GABRA1
SCHEMBL21731846 0.66 GABRG2 (0.41) LMNAPTGS2GABRG2GABRB3GABRA5

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 MDM2 4128/4885LMNA 2660/4885HSP90AA1 2573/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 MDM2 4267/4885LMNA 2787/4885HSP90AA1 2247/4885

“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.