SCHEMBL4286194

SCHEMBL4286194

CC(C)c1ccc(OCC[C@@H]2CNCCN2C(=O)c2ncn([C@H]3CCCC[C@@H]3NC(=O)O)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 6/20 0.43
CHEK2 O96017 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PTGER4 P35408 1/20 0.32
PTGER2 P43116 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
SCHEMBL13705467 0.96 HCRTR1 (0.41) HCRTR1HCRTR2CHEK2KMT2AMEN1
SCHEMBL4292999 0.93 HCRTR1 (0.45) HCRTR1HCRTR2CHEK2KMT2AMEN1
SCHEMBL4293415 0.93 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2ALDH1A1
SCHEMBL4281285 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2ALDH1A1
SCHEMBL4288890 0.90 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2KMT2AMEN1
SCHEMBL4293877 0.90 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2
SCHEMBL4285166 0.90 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2HRH3
SCHEMBL13705478 0.89 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2KMT2AMEN1
SCHEMBL4284535 0.89 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2KMT2AMEN1
SCHEMBL4284622 0.89 HCRTR1 (0.46) HCRTR1HCRTR2CHEK2ALDH1A1

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 2 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

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 HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885

“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.