SCHEMBL13091113

SCHEMBL13091113

CCOC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ccc(C(=O)NC3CCCCC3)cc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.75
▸ TP53 P04637 8/20 0.74
▸ POLB P06746 1/20 0.74
▸ ALDH1A1 P00352 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL13091108 0.90 MAPT (0.72) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL13091089 0.86 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091090 0.86 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091085 0.85 TP53 (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091022 0.85 TP53 (0.89) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091084 0.85 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091034 0.85 TP53 (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091087 0.85 TP53 (1.00) MAPTTP53POLBALDH1A1SMN1; SMN2
SCHEMBL13091082 0.84 MAPT (1.00) MAPTTP53POLBSMN1; SMN2
SCHEMBL13091104 0.84 MAPT (0.90) MAPTTP53POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 — — US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 — — US disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 — — WO 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD MAPT 2663/4885TP53 34/4885POLB 2440/4885

“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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