SCHEMBL13705342

SCHEMBL13705342

COc1ccc(Cl)c(OCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MMP9 P14780 3/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 1/20 0.42
MMP13 P45452 1/20 0.42
PDE4B Q07343 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
TP53 P04637 2/20 0.41
MDM2 Q00987 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.40
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40
CXCR4 P61073 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPKAPK2 P49137 1/20 0.39
BCL9 O00512 1/20 0.39

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
SCHEMBL8117540 0.93 MRGPRX4 (0.44) ALDH1A1MMP9MMP1MMP3MMP7
SCHEMBL13705340 0.90 ALDH1A1 (0.43) ALDH1A1MMP9MMP1MMP3MMP7
SCHEMBL8125847 0.87 PDE4B (0.49) ALDH1A1MMP9MMP1MMP3MMP7
SCHEMBL4751931 0.86 HCRTR1 (0.38) ALDH1A1SCN9ABIRC2
SCHEMBL4294633 0.86 HCRTR1 (0.38) ALDH1A1SCN9ABIRC2
SCHEMBL8113714 0.85 PDE4B (0.43) ALDH1A1MMP9MMP1MMP3MMP7
SCHEMBL8131936 0.84 MRGPRX4 (0.42) ALDH1A1PDE4BPTGDR2XIAPBIRC2
SCHEMBL8118415 0.83 SMN1; SMN2 (0.43) ALDH1A1PTGDR2XIAPBIRC2CXCR4
SCHEMBL13705341 0.82 XIAP (0.44) PDE4BPTGDR2XIAPBIRC2CXCR4
SCHEMBL4860535 0.82 SMN1; SMN2 (0.47) CXCR4

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 ALDH1A1 388/4885MMP9 401/4885MMP1 298/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MMP9 401/4885MMP1 298/4885

“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.