SCHEMBL949393

SCHEMBL949393

CC(C)(C)OC(=O)CCSc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PYGL P06737 5/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SIRT1 Q96EB6 2/20 0.40
FLT3 P36888 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DAO P14920 1/20 0.38
KMT2A Q03164 3/20 0.38
NHERF1 O14745 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL7014369 0.81 F7 (0.51) SMN1; SMN2PYGLF7F3SIRT1
SCHEMBL950930 0.78 SIRT1 (0.41) SIRT1
SCHEMBL948288 0.77 SIRT1 (0.44) SMN1; SMN2SIRT1KMT2AMEN1
SCHEMBL7018813 0.76 PYGL (0.47) SMN1; SMN2PYGLKMT2AMEN1RAB9A
SCHEMBL951250 0.75 NR4A2 (0.44) PYGLF7F3
SCHEMBL947844 0.75 SMN1; SMN2 (0.41) SMN1; SMN2PYGLF7F3SIRT1
SCHEMBL949002 0.73 RXFP1 (0.39) KMT2AMEN1
SCHEMBL4666737 0.71 F7 (0.60) PYGLF7F3FLT3HRH4
SCHEMBL949383 0.71 NR1H2 (0.36) KMT2AMEN1
SCHEMBL7014957 0.70 ALOX15 (0.47) SMN1; SMN2DAORAB9A

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 SMN1; SMN2 3368/4885PYGL 4547/4885F7 377/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 SMN1; SMN2 3635/4885PYGL 4081/4885F7 279/4885

“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.