SCHEMBL2875452

SCHEMBL2875452

CNCC(C)(C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
RIPK1 Q13546 2/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
AKT1 P31749 2/20 0.40

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
SCHEMBL567235 0.81 KMT2A (0.54) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL20163753 0.79 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL8773482 0.78 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17258048 0.78 KMT2A (0.51) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17258003 0.77 MEN1 (0.54) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL17467189 0.75 KMT2A (0.49) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL16400574 0.75 MEN1 (0.49) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL27517789 0.75 MEN1 (0.49) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL16399504 0.75 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL564589 0.74 BLM (0.49) MEN1KMT2AHTTL3MBTL1NPC1

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
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO MEN1 2339/4885KMT2A 1714/4885HTT 2028/4885

“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.