SCHEMBL13705324

SCHEMBL13705324

COc1ccc(Cl)c(OCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.49
▸ OPRK1 P41145 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ MMP9 P14780 3/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ ADAM9 Q13443 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ PDE4B Q07343 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
SCHEMBL8109520 0.94 PARP1 (0.49) PARP1OPRK1ALDH1A1BCL9CTNNB1
SCHEMBL13705325 0.91 PARP1 (0.52) PARP1OPRK1ALDH1A1BCL9CTNNB1
SCHEMBL8122210 0.88 PARP1 (0.51) PARP1OPRK1ALDH1A1BCL9CTNNB1
SCHEMBL8113703 0.86 PARP1 (0.52) PARP1OPRK1ALDH1A1BCL9CTNNB1
SCHEMBL8115795 0.85 PARP1 (0.51) PARP1OPRK1ALDH1A1BCL9CTNNB1
SCHEMBL8116301 0.85 PARP1 (0.52) PARP1OPRK1ALDH1A1PDK1PDK2
SCHEMBL13340759 0.85 PARP1 (0.58) PARP1OPRK1BCL9CTNNB1PDK1
SCHEMBL4860072 0.85 PARP1 (0.58) PARP1OPRK1BCL9CTNNB1PDK1
SCHEMBL4860080 0.85 PARP1 (0.58) PARP1OPRK1BCL9CTNNB1PDK1
SCHEMBL8123464 0.84 PARP1 (0.53) PARP1OPRK1BCL9CTNNB1PDK1

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 PARP1 3523/4885OPRK1 2640/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PARP1 3523/4885OPRK1 2640/4885ALDH1A1 388/4885

“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.

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