SCHEMBL4285108

SCHEMBL4285108

Cc1nc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
APP P05067 2/20 0.38
SCN9A Q15858 11/20 0.37
SCN10A Q9Y5Y9 4/20 0.37
TLR9 Q9NR96 1/20 0.37
MGLL Q99685 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CHRNA7 P36544 1/20 0.36

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
SCHEMBL4294076 0.93 SIGMAR1 (0.39) SIGMAR1SCN9ASCN10A
SCHEMBL4281841 0.89 KMT2A (0.39) SIGMAR1SCN9ASCN10ATLR9TLR7
SCHEMBL8104556 0.87 CXCR4 (0.39) SIGMAR1TLR9
SCHEMBL4289498 0.82 TLR7 (0.39) APPTLR9MGLLTLR7CHRNA7
SCHEMBL4289860 0.81 GAA (0.41) SIGMAR1SCN9ASCN10A
SCHEMBL4293422 0.81 SMN1; SMN2 (0.43) MGLLCHRNA7
SCHEMBL4285366 0.81 HSP90AA1 (0.38) SCN9ASCN10A
SCHEMBL4752778 0.81 RAB9A (0.44)
SCHEMBL4281703 0.81 RAB9A (0.44)
Hydrochloric Acid SCHEMBL4289031 0.80 SMN1; SMN2 (0.43) MGLLCHRNA7

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885APP 1773/4885SCN9A 1866/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SIGMAR1 3163/4885APP 1773/4885SCN9A 1866/4885

“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.