SCHEMBL4291256

SCHEMBL4291256

COc1cc(C#N)ccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
ICMT O60725 2/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDGFRB P09619 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DPP4 P27487 1/20 0.38
F10 P00742 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL4285755 0.86 KDM4E (0.51) PPARDMAPTUSP2ALDH1A1HPGD
SCHEMBL4289383 0.85 RAB9A (0.43) MAPTALDH1A1HPGDKDM4E
SCHEMBL4287265 0.85 KDM4E (0.45) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4294041 0.85 HCRTR1 (0.40) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4281912 0.84 KMT2A (0.50) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4287638 0.84 LMNA (0.50) MAPTALDH1A1HPGDKDM4E
SCHEMBL4290774 0.83 DRD3 (0.49) HPGD
SCHEMBL4285825 0.82 KCNA5 (0.49) MAPTALDH1A1
SCHEMBL4284656 0.81 FFAR1 (0.42) ALDH1A1KDM4EF10
SCHEMBL4285295 0.81 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10

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 PPARD 1493/4885PPARA 1588/4885MAPT 3142/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PPARD 1493/4885PPARA 1588/4885MAPT 3142/4885

“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.