SCHEMBL4288539

SCHEMBL4288539

O=C1OCc2ccc(NCC[C@@H]3CN(C(=O)O)CCN3)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PPIA P62937 3/20 0.39
GPR119 Q8TDV5 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ABCB1 P08183 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL4281960 0.92 PRMT3 (0.43) MAOAALDH1A1MAPTKDM4EGAA
SCHEMBL4292160 0.81 MAOA (0.47) MAOAMEN1KMT2ARXFP1ALDH1A1
SCHEMBL4294740 0.80 MAN1B1 (0.43) GAA
SCHEMBL4287898 0.76 SLC6A2 (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4290607 0.75 ROCK2 (0.45)
SCHEMBL4284858 0.75 CA1 (0.42) ALDH1A1MAPTLMNAL3MBTL1HTT
SCHEMBL4284056 0.74 HTR7 (0.48) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL4289874 0.74 F10 (0.37)
SCHEMBL4750110 0.74 HTR7 (0.48) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL4291132 0.74 MAPT (0.42) MEN1KMT2AMAPTKDM4EGAA

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 MAOA 660/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAOA 660/4885MEN1 1254/4885KMT2A 1049/4885

“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.