SCHEMBL4291358

SCHEMBL4291358

O=C(O)c1ncn([C@H]2CCCC[C@@H]2O)c1-c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.38
KIF11 P52732 1/20 0.37
IDO1 P14902 3/20 0.34
TGFBR1 P36897 1/20 0.34
GRIN2B Q13224 1/20 0.33
MDM2 Q00987 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
TDO2 P48775 2/20 0.33
CNR2 P34972 1/20 0.33
SLC18A3 Q16572 1/20 0.33
CAMK1D Q8IU85 1/20 0.33
CHRM1 P11229 1/20 0.33
SCN9A Q15858 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
ORAI1 Q96D31 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL13705074 0.91 HCAR1 (0.39) HCAR1KIF11TGFBR1CNR2SLC18A3
SCHEMBL4285818 0.84 GABRG2 (0.40) MAPT
SCHEMBL4289050 0.80 KDM4C (0.40) HCAR1TGFBR1GRIN2B
SCHEMBL4287776 0.80 KDM4C (0.40) HCAR1TGFBR1GRIN2B
SCHEMBL4281165 0.79 HCAR1 (0.43) HCAR1SLC18A3CHRM1
SCHEMBL4281946 0.79 TGFBR1 (0.46) HCAR1TGFBR1
SCHEMBL4788333 0.78 HCAR1 (0.44) HCAR1SLC18A3CHRM1
SCHEMBL4788338 0.78 HCAR1 (0.44) HCAR1SLC18A3CHRM1
SCHEMBL4788332 0.78 HCAR1 (0.44) HCAR1SLC18A3CHRM1
SCHEMBL4284096 0.78 DPP4 (0.43) SLC18A3

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 4 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-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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 HCAR1 1471/4885KIF11 3906/4885IDO1 275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCAR1 1471/4885KIF11 3906/4885IDO1 275/4885

“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.