SCHEMBL12387707

SCHEMBL12387707

O=C1COCC(=O)Nc2ccccc2NCCNc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ AHR P35869 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ BRD4 O60885 7/20 0.41
▸ CREBBP Q92793 7/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDGFRA P16234 1/20 0.35
▸ FER P16591 1/20 0.35
▸ LTK P29376 1/20 0.35

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
SCHEMBL1762231 0.78 AHR (0.59) MAPTAHRPDK2NPC1MAPK13
SCHEMBL4071447 0.78 NPC1 (0.55) MAPTAHRPDK2NPC1MAPK13
SCHEMBL31097976 0.74 MAPT (0.58) MAPTAHRPDK2NPC1MAPK13
SCHEMBL29408147 0.73 GAA (0.54) MAPTAHRPDK2NPC1GAA
SCHEMBL29144954 0.73 GAA (0.54) MAPTAHRPDK2NPC1GAA
SCHEMBL123812 0.73 GAA (0.54) MAPTAHRPDK2NPC1GAA
SCHEMBL10558162 0.73 BRD4 (0.40) MAPTAHRPDK2NPC1MAPK13
SCHEMBL37900 0.73 AHR (0.50) MAPTAHRPDK2NPC1MAPK13
SCHEMBL29483964 0.73 AHR (0.50) MAPTAHRPDK2NPC1MAPK13
SCHEMBL17758261 0.71 GAA (0.52) MAPTAHRPDK2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989617-B2 Crown ether derivatives Life Technologies Corporation (US) 2011-08-02 — — US disclosed
US-7989617-B2 Crown ether derivatives Life Technologies Corporation (US) 2011-08-02 — — US disclosed
US-20100047821-A1 CROWN ETHER DERIVATIVES Life Technologies Corporation (US) 2010-02-25 — — US disclosed
US-20100047821-A1 CROWN ETHER DERIVATIVES Life Technologies Corporation (US) 2010-02-25 — — US disclosed
US-7579463-B2 Crown ether derivatives Life Technologies Corporation (US) 2009-08-25 — — US disclosed
US-7579463-B2 Crown ether derivatives Life Technologies Corporation (US) 2009-08-25 — — US disclosed
US-20070043212-A1 CROWN ETHER DERIVATIVES MOLECULAR PROBES, INC. (US) 2007-02-22 — — US disclosed
US-20070043212-A1 CROWN ETHER DERIVATIVES MOLECULAR PROBES, INC. (US) 2007-02-22 — — 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 (2 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-20100047821-A1 CROWN ETHER DERIVATIVES NCOR1, NCOR2, NCOA2 MAPT 3634/4885AHR 335/4885PDK2 4760/4885
US-20070043212-A1 CROWN ETHER DERIVATIVES NCOR2, NCOR1, NCOA3 MAPT 3494/4885AHR 1099/4885PDK2 4611/4885

“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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