SCHEMBL4293729

SCHEMBL4293729

COc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 10/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 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
SCHEMBL4287638 0.90 LMNA (0.50) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4285550 0.89 MEN1 (0.40) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4285501 0.88 RAB9A (0.41) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4281106 0.88 BTK (0.39) ALDH1A1KDM4ELMNAGAA
SCHEMBL4287941 0.83 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4297009 0.83 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL4294041 0.83 HCRTR1 (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4284656 0.83 FFAR1 (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4282070 0.81 NPC1 (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4285755 0.81 KDM4E (0.51) MAPK1ALDH1A1KDM4EMEN1KMT2A

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 MAPK1 422/4885ALDH1A1 388/4885HIF1A 1683/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPK1 422/4885ALDH1A1 388/4885HIF1A 1683/4885

“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.