SCHEMBL6396644

SCHEMBL6396644

Cc1cc(C)cc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.65
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
GAA P10253 2/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
MAOB P27338 1/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6400861 0.88 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL4112112 0.88 HTR2A (0.74) HTR2ABCL9CTNNB1GAAPOLB
SCHEMBL1311504 0.87 HTR2A (0.62) HTR2ABCL9CTNNB1GAAPOLB
Water SCHEMBL10938430 0.86 HTR2A (0.73) HTR2ABCL9CTNNB1GAAPOLB
Water SCHEMBL10938437 0.86 HTR2A (0.73) HTR2ABCL9CTNNB1GAAPOLB
SCHEMBL5827968 0.86 HTR2A (0.80) HTR2ABCL9CTNNB1GAAHTT
SCHEMBL7164084 0.85 HTR2A (0.64) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL17084531 0.85 HTR2A (0.63) HTR2ABCL9CTNNB1GAAPOLB
SCHEMBL30679539 0.84 HTR2A (0.62) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL31413357 0.84 HTR2A (0.62) HTR2ABCL9CTNNB1GAASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100357267-C Use of 2, 4-diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors NOVARTIS AG (CH) 2007-12-26 CN disclosed
US-20050026994-A1 Use of 2, 4diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors FRANCE DENNIS (US) 2005-02-03 US disclosed
EP-1173413-B1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS NOVARTIS AG (CH) 2004-06-30 EP disclosed
CN-1351587-A Use of 2,4-diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors NOVARTIS AG (CH) 2002-05-29 CN disclosed
EP-1173413-A1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS Novartis AG (CH) 2002-01-23 EP disclosed
WO-2000064863-A1 USE OF 2,4-DIAMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES AS PROTEASOME INHIBITORS NOVARTIS AG (CH) 2000-11-02 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-20050026994-A1 Use of 2, 4diamino-3-hydroxycarboxylic acid derivatives as proteasome inhibitors PSMB3, PSMB2, PSMB1 HTR2A 972/4885BCL9 123/4885CTNNB1 2943/4885

“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.