SCHEMBL4286672

SCHEMBL4286672

COc1cc(N2CCOCC2)ccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
MAPT P10636 6/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
PTK2 Q05397 1/20 0.40
FAAH O00519 1/20 0.40
PRKDC P78527 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.39
THRB P10828 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
SCHEMBL4298298 0.90 KDM4E (0.46) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL4285755 0.83 KDM4E (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4281202 0.82 HIF1A (0.43) HIF1AMAPTMCHR1MEN1KMT2A
SCHEMBL4281203 0.82 HIF1A (0.43) HIF1AMAPTMCHR1MEN1KMT2A
SCHEMBL4289383 0.82 RAB9A (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4294041 0.82 HCRTR1 (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4287265 0.82 KDM4E (0.45) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL4281912 0.81 KMT2A (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4296939 0.81 HCRTR1 (0.40) MAPTMCHR1MEN1KMT2AALDH1A1
SCHEMBL4287638 0.81 LMNA (0.50) MAPTMEN1KMT2AALDH1A1LMNA

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 HIF1A 1683/4885MAPT 3142/4885MCHR1 3701/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HIF1A 1683/4885MAPT 3142/4885MCHR1 3701/4885

“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.