SCHEMBL6330128

SCHEMBL6330128

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.39
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
HCAR3 P49019 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6329382 0.94 ALDH1A1 (0.39) ALDH1A1NPSR1L3MBTL1KDM4EMAPT
SCHEMBL6332543 0.91 ALDH1A1 (0.40) ALDH1A1NPSR1L3MBTL1KDM4EMAPT
SCHEMBL6332395 0.85 KMT2A (0.46) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL6330135 0.82 KMT2A (0.43) ALDH1A1L3MBTL1KDM4EKMT2AGAA
SCHEMBL6337102 0.80 NOS2 (0.50) ALDH1A1KMT2AMEN1HPGD
Fumaric Acid SCHEMBL6332308 0.80 NOS2 (0.50) ALDH1A1L3MBTL1KDM4EMAPTTDP1
Fumaric Acid SCHEMBL6332303 0.80 NOS2 (0.50) ALDH1A1L3MBTL1KDM4EMAPTTDP1
SCHEMBL6338041 0.80 NOS2 (0.48) VCAM1ALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL6329391 0.78 KMT2A (0.40) ALDH1A1L3MBTL1KDM4EMAPTTDP1
SCHEMBL6338273 0.78 KMT2A (0.46) ALDH1A1KDM4EMAPTMAPK1KMT2A

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-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

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 VCAM1 378/4885ALDH1A1 724/4885NPSR1 198/4885

“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.