SCHEMBL948288

SCHEMBL948288

Cc1c(SCCC(=O)OC(C)(C)C)[nH]c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.44
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
XBP1 P17861 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.37
CNR1 P21554 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP2 P11137 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EGFR P00533 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL950930 0.90 SIRT1 (0.41) SIRT1ALDH1A1HPGDCYP1A2XBP1
SCHEMBL951250 0.78 NR4A2 (0.44) MAPT
SCHEMBL949393 0.77 SMN1; SMN2 (0.44) SIRT1MEN1KMT2ASMN1; SMN2
SCHEMBL948490 0.76 CNR1 (0.47) SIRT1ALDH1A1HPGDCYP1A2XBP1
SCHEMBL948274 0.70 SIRT1 (0.40) SIRT1ALDH1A1HPGDCYP1A2XBP1
SCHEMBL7356882 0.68 GAA (0.49) SIRT1ALDH1A1HPGDCYP1A2XBP1
SCHEMBL949002 0.67 RXFP1 (0.39) ALDH1A1CYP1A2CYP2C19LMNAMEN1
SCHEMBL5449660 0.66 GABRG2 (0.33) LMNA
SCHEMBL8689806 0.66 MAP2 (0.62) SIRT1ALDH1A1HPGDCYP1A2LMNA
SCHEMBL949383 0.65 NR1H2 (0.36) LMNAMAPTMEN1KMT2A

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 SIRT1 970/4885ALDH1A1 2246/4885HPGD 356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 SIRT1 830/4885ALDH1A1 2316/4885HPGD 248/4885

“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.