SCHEMBL6504409

SCHEMBL6504409

CNC(CC(Sc1cc(Cl)ccc1Cl)c1ccccc1)OC(=O)/C=C/C(=O)OC(CC(Sc1cc(Cl)ccc1Cl)c1ccccc1)NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.42
CYP2D6 P10635 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
PDPK1 O15530 1/20 0.34
LMNA P02545 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34

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
SCHEMBL6491987 0.78 NOS2 (0.61) NOS2CYP2D6SLC6A2SLC6A4L3MBTL1
SCHEMBL6577361 0.76 NOS2 (0.52) NOS2CYP2D6L3MBTL1MAPK1HTT
SCHEMBL6497290 0.71 NOS2 (0.54) NOS2CYP2D6SLC6A2SLC6A4
SCHEMBL5651711 0.69 NOS2 (0.54) NOS2CYP2D6SLC6A2SLC6A4MAPK1
SCHEMBL6337373 0.69 NOS2 (0.43) NOS2CYP2D6MEN1CYP1A2CYP3A4
SCHEMBL6501564 0.68 NOS2 (0.47) NOS2CYP2D6SLC6A2SLC6A4L3MBTL1
Hydrochloric Acid SCHEMBL5650702 0.68 NOS2 (0.53) NOS2CYP2D6SLC6A2SLC6A4MAPK1
SCHEMBL6332525 0.67 NOS2 (0.45) NOS2CYP2D6SLC6A2SLC6A4L3MBTL1
SCHEMBL9499388 0.65 SLC6A4 (0.36) NOS2CYP2D6SLC6A2SLC6A4MAPK1
SCHEMBL9856442 0.65 CTSB (0.41) CYP2D6MEN1CYP2C19KMT2AHCAR2

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-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 NOS2 8/4885CYP2D6 38/4885SLC6A2 1769/4885

“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.