SCHEMBL1268371

SCHEMBL1268371

COc1cccc(C2CC(=O)N(c3ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PROKR1 Q8TCW9 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 4/20 0.40
▸ ADRA1A P35348 1/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL1269529 0.91 PROKR1 (0.40) PROKR1LMNATP53ADRA1AGRM5
SCHEMBL1268280 0.90 PROKR1 (0.39) PROKR1LMNATP53GRM5PDE4A
SCHEMBL1269328 0.88 HTR6 (0.36) LMNATP53GRM5PDE4APDE4B
SCHEMBL1269325 0.87 SMN1; SMN2 (0.40) LMNAGRM5ALDH1A1PDE4APDE4B
SCHEMBL1268804 0.84 PROKR1 (0.36) PROKR1LMNATP53GRM5ALDH1A1
SCHEMBL1269350 0.81 PROKR1 (0.38) PROKR1LMNATP53ADRA1ANPSR1
SCHEMBL1269182 0.80 TP53 (0.38) LMNATP53NPSR1ALDH1A1CYP1A2
SCHEMBL1269223 0.74 HTR6 (0.41) —
SCHEMBL1269577 0.72 GRM5 (0.33) GRM5
SCHEMBL1268334 0.71 ABL1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — US 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP PROKR1 3668/4885LMNA 1199/4885TP53 1224/4885

“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.

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