SCHEMBL4524136

SCHEMBL4524136

O=C(COc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)NCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
NAMPT P43490 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
P2RX7 Q99572 2/20 0.38
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL4502708 0.92 HSD11B1 (0.59) HSD11B1ALDH1A1HPGDKDM4EGAA
SCHEMBL4515610 0.90 HSD11B1 (0.52) HSD11B1ALDH1A1GAAKMT2AHTT
SCHEMBL4501264 0.89 HSD11B1 (0.50) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4515193 0.88 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDGAAP2RX7
SCHEMBL4513448 0.88 HSD11B1 (0.49) HSD11B1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4505009 0.88 HSD11B1 (0.49) HSD11B1ALDH1A1HPGDKDM4EGAA
SCHEMBL4514300 0.87 HSD11B1 (0.52) HSD11B1ALDH1A1HPGDGAAP2RX7
SCHEMBL5541273 0.87 HSD11B1 (0.49) HSD11B1ALDH1A1GAAP2RX7CYP2C9
SCHEMBL4517036 0.86 HSD11B1 (0.46) HSD11B1ALDH1A1GAAKMT2AP2RX7
SCHEMBL4524316 0.86 HSD11B1 (0.47) HSD11B1ALDH1A1HPGDKDM4EHSD17B10

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 HSD11B1 1/4885ALDH1A1 51/4885HPGD 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.