SCHEMBL6491987

SCHEMBL6491987

CNC(C[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)OC(=O)/C=C/C(=O)OC(C[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1)NC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.61
CYP2D6 P10635 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 4/20 0.41
KCNH2 Q12809 2/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL6577361 0.88 NOS2 (0.52) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL6501564 0.87 NOS2 (0.47) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL6337373 0.81 NOS2 (0.43) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL6504409 0.78 NOS2 (0.42) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL6332525 0.78 NOS2 (0.45) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL6502150 0.77 SLC6A4 (0.40) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL9411489 0.77 SLC6A9 (0.47) NOS2CYP2D6MEN1KMT2ACYP1A2
Fumaric Acid SCHEMBL6491990 0.76 NOS2 (1.00) NOS2CYP2D6MEN1KMT2ACYP1A2
Fumaric Acid SCHEMBL6491175 0.76 NOS2 (1.00) NOS2CYP2D6MEN1KMT2ACYP1A2
SCHEMBL9499388 0.74 SLC6A4 (0.36) NOS2CYP2D6MEN1KMT2ACYP1A2

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-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885CYP2D6 49/4885MEN1 4489/4885

“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.