SCHEMBL4508294

SCHEMBL4508294

COc1ccc(CNC(=O)COc2ccc(CC3CCN(C4CCC(C)(O)CC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
P2RX7 Q99572 1/20 0.39
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 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
SCHEMBL4509276 0.93 ALDH1A1 (0.40) ALDH1A1KMT2AGAAHTTL3MBTL1
SCHEMBL4500860 0.92 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2HPGDKDM4E
SCHEMBL5543837 0.89 P2RX7 (0.43) P2RX7
SCHEMBL4510722 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AGAAHTTSMN1; SMN2
SCHEMBL4504293 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL13674510 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL13674485 0.86 OPRM1 (0.39) ALDH1A1P2RX7
SCHEMBL4510197 0.86 OPRM1 (0.39) ALDH1A1P2RX7
SCHEMBL4511140 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AHTTL3MBTL1HPGD
SCHEMBL4511295 0.86 MAPT (0.46) ALDH1A1KMT2AMEN1GAAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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 (1 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 ALDH1A1 51/4885KMT2A 2379/4885MEN1 1254/4885

“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.