SCHEMBL4528170

SCHEMBL4528170

COCOc1c(OC)cc(Cl)c(C(O)C2CCN(C3CCCCC3)C2=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.36
TP53 P04637 10/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
F10 P00742 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14365226 0.89 LMNA (0.32) LMNATP53ALDH1A1MEN1KMT2A
SCHEMBL4523661 0.85 LMNA (0.39) LMNATP53CYP3A4CYP2C9CYP2C19
SCHEMBL4519419 0.79 CNR1 (0.40) LMNATP53CYP3A4CYP2C9CYP2C19
SCHEMBL4516453 0.78 NPSR1 (0.38) LMNATP53CYP3A4CYP2C9CYP2C19
SCHEMBL14365375 0.76 ALDH1A1 (0.37) LMNATP53CYP3A4CYP2C9CYP2C19
SCHEMBL14365039 0.70 TSHR (0.35) LMNATP53CYP3A4CYP2C9CYP2C19
SCHEMBL4516886 0.69 TSHR (0.43) TP53CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4508107 0.67 HSD11B1 (0.46) LMNATP53CYP3A4CYP2C9CYP2C19
SCHEMBL2993417 0.66 NPSR1 (0.45) NPSR1
SCHEMBL4519244 0.64 HSD11B1 (0.47) LMNACYP3A4CYP2C9CYP2C19ALDH1A1

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 LMNA 2846/4885TP53 3134/4885CYP3A4 671/4885

“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.