SCHEMBL4508535

SCHEMBL4508535

O=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.70
ALDH1A1 P00352 4/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48
HDAC3 O15379 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MCHR1 Q99705 1/20 0.46
PKM P14618 1/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC2 Q92769 1/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL4511332 0.86 HSD11B1 (0.68) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4516593 0.85 ALDH1A1 (0.59) HSD11B1ALDH1A1POLBLMNAMAPT
SCHEMBL2986964 0.84 HSD11B1 (1.00) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4518867 0.83 HSD11B1 (0.63) HSD11B1ALDH1A1KMT2ALMNAHRH3
SCHEMBL4517638 0.83 HSD11B1 (0.73) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13675456 0.82 HSD11B1 (0.51) HSD11B1ALDH1A1POLBMEN1KMT2A
SCHEMBL4506395 0.79 HSD11B1 (0.67) HSD11B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3542808 0.79 HSD11B1 (0.84) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4518607 0.79 HSD11B1 (0.63) HSD11B1ALDH1A1KMT2ALMNAHTT
SCHEMBL4518386 0.77 HSD11B1 (0.44) HSD11B1ALDH1A1POLBMEN1KMT2A

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 5 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
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 HSD11B1 1/4885ALDH1A1 51/4885POLB 2628/4885

“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.