SCHEMBL4281841

SCHEMBL4281841

CCc1nc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3)cc2o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SCN9A Q15858 10/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
TLR9 Q9NR96 1/20 0.36
S1PR1 P21453 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL4289860 0.93 GAA (0.41) SCN9ASCN10ASIGMAR1NPC1RAB9A
SCHEMBL4285108 0.89 SIGMAR1 (0.39) SCN9ASCN10ASIGMAR1TLR9TLR7
SCHEMBL8104479 0.88 CXCR4 (0.39) KMT2AMEN1SIGMAR1NPC1RAB9A
SCHEMBL4285120 0.83 NPC1 (0.39) KMT2AMEN1NPC1RAB9ATAS1R3
SCHEMBL4294076 0.81 SIGMAR1 (0.39) SCN9ASCN10ASIGMAR1RAB9AS1PR1
SCHEMBL4295541 0.81 HSP90AA1 (0.36) KMT2AMEN1SCN9ASCN10A
SCHEMBL8118254 0.81 NPC1 (0.43) SIGMAR1NPC1RAB9A
SCHEMBL4281943 0.78 POLB (0.43) SIGMAR1
SCHEMBL4293498 0.78 MAPT (0.47) KMT2AMEN1SCN9ASCN10ANPC1
SCHEMBL4285910 0.77 KDM1A (0.45) SIGMAR1KCNH2

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 KMT2A 1049/4885MEN1 1254/4885SCN9A 1866/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885MEN1 1254/4885SCN9A 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.