SCHEMBL13705408

SCHEMBL13705408

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(C(N)=O)cc2OC)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.35
USP19 O94966 3/20 0.35
HCRTR1 O43613 9/20 0.33
HCRTR2 O43614 9/20 0.33
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4287333 0.99 CHEK2 (0.35) CHEK2USP19HCRTR1HCRTR2ROCK2
Hydrochloric Acid SCHEMBL4287152 0.94 MEN1 (0.37) USP19HCRTR1HCRTR2ROCK2KDM4E
SCHEMBL4290797 0.93 HCRTR1 (0.36) USP19HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4285368 0.93 USP19 (0.35) USP19HCRTR1HCRTR2ROCK2KDM4E
SCHEMBL4287688 0.92 HCRTR1 (0.37) USP19HCRTR1HCRTR2ALDH1A1
Hydrochloric Acid SCHEMBL4291173 0.92 CACNA1F (0.34) USP19HCRTR1HCRTR2ROCK2ALDH1A1
SCHEMBL4284435 0.91 HCRTR1 (0.40) USP19HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4294065 0.91 HCRTR1 (0.37) USP19HCRTR1HCRTR2ALDH1A1
SCHEMBL4281297 0.91 FKBP1A (0.39) CHEK2USP19HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4292754 0.91 HCRTR1 (0.36) USP19HCRTR1HCRTR2

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 CHEK2 3289/4885USP19 1993/4885HCRTR1 3147/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHEK2 3289/4885USP19 1993/4885HCRTR1 3147/4885

“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.