SCHEMBL4282697

SCHEMBL4282697

COC(=O)c1sccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRNP P04156 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4289100 0.81 KMT2A (0.54) KMT2AMEN1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4286189 0.80 KMT2A (0.47) KMT2AMEN1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4284676 0.78 MAPT (0.43) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4287180 0.78 HCRTR2 (0.38) KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4281655 0.78 KDM4E (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4287638 0.78 LMNA (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL4286026 0.78 HPGD (0.49) KMT2AALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4290602 0.78 HCRTR1 (0.39) KMT2ACYP1A2ALDH1A1SMN1; SMN2MAPT
SCHEMBL4283620 0.77 OPRM1 (0.37) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL4281139 0.76 MET (0.36)

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 KMT2A 1049/4885MEN1 1254/4885CYP1A2 89/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885MEN1 1254/4885CYP1A2 89/4885

“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.