SCHEMBL1269274

SCHEMBL1269274

Cn1c(=O)n(-c2ccnc(N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl)c2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XBP1 P17861 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ BRPF1 P55201 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRA4 P48169 1/20 0.30
▸ GABRA6 Q16445 1/20 0.30

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
SCHEMBL1269624 0.81 PGR (0.34) LMNATSHRSMN1; SMN2MAP4K1PGR
SCHEMBL24405984 0.75 EED (0.45) NPC1RAB9AMAP4K1PGR
SCHEMBL1268334 0.72 ABL1 (0.36) MAP4K1
SCHEMBL1269243 0.72 MCHR1 (0.33) —
SCHEMBL1269577 0.72 GRM5 (0.33) —
SCHEMBL1269223 0.71 HTR6 (0.41) —
SCHEMBL1269350 0.69 PROKR1 (0.38) LMNATSHRL3MBTL1NPC1RAB9A
SCHEMBL1268426 0.69 LMNA (0.37) LMNATSHRRAB9A
SCHEMBL1268439 0.69 TP53 (0.34) LMNAMEN1KMT2A
SCHEMBL1269228 0.68 PGR (0.41) SMN1; SMN2MAP4K1BRD4BRPF1MEN1

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 XBP1 3022/4885LMNA 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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