SCHEMBL6329382

SCHEMBL6329382

CCCC(CCN(C)C(=O)O)Oc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.36
HCAR3 P49019 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
PSMD14 O00487 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
HTT P42858 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
SCHEMBL6330128 0.94 VCAM1 (0.39) ALDH1A1NPSR1L3MBTL1KDM4EMAPT
SCHEMBL6332543 0.93 ALDH1A1 (0.40) ALDH1A1NPSR1L3MBTL1KDM4EMAPT
SCHEMBL6338273 0.84 KMT2A (0.46) ALDH1A1KDM4EMAPTMAPK1GAA
Oxalic Acid SCHEMBL6328020 0.83 NOS2 (0.46) ALDH1A1NPSR1L3MBTL1KDM4EMAPT
SCHEMBL6329391 0.80 KMT2A (0.40) ALDH1A1L3MBTL1KDM4EMAPTTDP1
SCHEMBL6330629 0.80 NOS2 (0.52) ALDH1A1KMT2AMEN1HTT
SCHEMBL6332310 0.79 NOS2 (0.50) ALDH1A1NPSR1L3MBTL1MAPTMAPK1
SCHEMBL6332395 0.78 KMT2A (0.46) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL6335292 0.76 MEN1 (0.46) ALDH1A1NPSR1L3MBTL1KDM4EMAPK1
SCHEMBL6330135 0.76 KMT2A (0.43) ALDH1A1L3MBTL1KDM4EGAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900243-B2 Phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-05-31 US disclosed
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030065174-A1 Novel phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-03 US disclosed
EP-1263715-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062714-A1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030065174-A1 Novel phenylheteroalkylamine derivatives OPRK1, NOS2, OPRM1 ALDH1A1 724/4885NPSR1 198/4885L3MBTL1 2501/4885

“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.