SCHEMBL4516593

SCHEMBL4516593

O=C(NCc1ccco1)c1ccc(CC2CCN(C3CCCCC3)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HSD11B1 P28845 1/20 0.55
HPGD P15428 5/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.47
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4508535 0.85 HSD11B1 (0.70) ALDH1A1HSD11B1HPGDSMN1; SMN2LMNA
SCHEMBL13675456 0.80 HSD11B1 (0.51) ALDH1A1HSD11B1SMN1; SMN2LMNAMAPT
SCHEMBL4518867 0.79 HSD11B1 (0.63) ALDH1A1HSD11B1LMNA
SCHEMBL4511332 0.78 HSD11B1 (0.68) ALDH1A1HSD11B1TP53SMN1; SMN2KDM4E
SCHEMBL4517638 0.77 HSD11B1 (0.73) ALDH1A1HSD11B1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4518607 0.75 HSD11B1 (0.63) ALDH1A1HSD11B1SMN1; SMN2KDM4ELMNA
SCHEMBL4525490 0.73 HSD11B1 (0.63) ALDH1A1HSD11B1TP53LMNAPOLB
SCHEMBL2986964 0.72 HSD11B1 (1.00) ALDH1A1HSD11B1TP53SMN1; SMN2KDM4E
SCHEMBL3548392 0.71 HSD11B1 (0.76) ALDH1A1HSD11B1TP53L3MBTL1
SCHEMBL3542808 0.71 HSD11B1 (0.84) ALDH1A1HSD11B1SMN1; SMN2

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 3 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
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 51/4885HSD11B1 1/4885HPGD 63/4885

“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.