SCHEMBL1269182

SCHEMBL1269182

COc1ccc(CCC2CC(=O)N(c3ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ENPP2 Q13822 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL1268439 0.90 TP53 (0.34) TP53LMNAENPP2POLBKMT2A
SCHEMBL1269529 0.85 PROKR1 (0.40) TP53LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1268426 0.81 LMNA (0.37) TP53LMNATSHRPOLB
SCHEMBL1268371 0.80 PROKR1 (0.42) TP53LMNANPSR1ALDH1A1CYP1A2
SCHEMBL1269325 0.71 SMN1; SMN2 (0.40) LMNAALDH1A1POLBKMT2AHTT
SCHEMBL1269553 0.69 SMN1; SMN2 (0.50) TP53LMNANPSR1ALDH1A1POLB
SCHEMBL1269185 0.69 TP53 (0.36) TP53TSHRNPSR1ALDH1A1POLB
SCHEMBL1269223 0.69 HTR6 (0.41) —
SCHEMBL30444701 0.63 CYP17A1 (0.44) TP53LMNAALDH1A1POLB
SCHEMBL20574134 0.63 CYP17A1 (0.44) TP53LMNAALDH1A1POLB

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 TP53 1224/4885LMNA 1199/4885TSHR 4679/4885

“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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