SCHEMBL1269185

SCHEMBL1269185

COc1ccc(CCC2CC(=O)N(c3c(CC(Cl)(Cl)Cl)cnc(N(C(=O)O)C(=O)O)c3CC(Cl)(Cl)Cl)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ OPRM1 P35372 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1268441 0.90 GRM4 (0.31) —
SCHEMBL1269182 0.69 TP53 (0.38) TP53KMT2ATSHRPOLBNPSR1
SCHEMBL19994644 0.59 MAOB (0.59) OPRM1KMT2AMAOBTSHRALDH1A1
SCHEMBL16838790 0.58 MAOB (0.63) MAOB
SCHEMBL14661913 0.58 BRD4 (0.48) KMT2APOLB
SCHEMBL6272305 0.58 KMT2A (0.53) TP53KMT2ATSHRPOLBALDH1A1
SCHEMBL6267118 0.58 NPC1 (0.59) TP53KMT2APOLBALDH1A1
SCHEMBL4962234 0.57 MAOB (0.53) OPRM1KMT2AMAOBTSHRALDH1A1
SCHEMBL1710699 0.57 ALDH1A1 (0.52) KMT2AALDH1A1L3MBTL1
SCHEMBL14862904 0.57 MAOB (0.55) MAOB

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 1224/4885OPRM1 4510/4885KMT2A 575/4885

“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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