SCHEMBL3463151

SCHEMBL3463151

N#Cc1cccc(-c2cccc([N+](=O)[O-])c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
EIF4E P06730 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
VCAM1 P19320 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
XDH P47989 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
ADRA2C P18825 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERN1 O75460 1/20 0.42
FBP1 P09467 3/20 0.42
S100A4 P26447 1/20 0.41
CYP19A1 P11511 1/20 0.40
CLK4 Q9HAZ1 1/20 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
SCHEMBL2000140 0.83 EIF4E (0.45) EIF4EMAOBMAOAVCAM1ADRA2C
SCHEMBL5605382 0.78 TDP1 (0.69) GPR35CRHBPCRHR2ALDH1A1TDP1
SCHEMBL2405410 0.78 GPR35 (0.55) GPR35CRHBPCRHR2ALDH1A1TDP1
SCHEMBL16120016 0.77 EIF4E (0.53) EIF4EMAOBMAOAVCAM1XDH
SCHEMBL24909406 0.77 VCAM1 (0.44) GPR35MAOBMAOAVCAM1CRHBP
Bromide SCHEMBL4334733 0.77 GPR35 (0.53) GPR35CRHBPCRHR2ALDH1A1TDP1
SCHEMBL7949875 0.76 CLK1 (0.46) EIF4EVCAM1
SCHEMBL11309776 0.76 GPR35 (0.78) GPR35CRHBPCRHR2ALDH1A1TDP1
SCHEMBL408308 0.75 ERN1 (0.59) GPR35CRHBPCRHR2ALDH1A1TDP1
SCHEMBL31415060 0.75 ERN1 (0.59) GPR35CRHBPCRHR2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160644-A1 NOVEL PROCESSES OF MAKING HYDROXY-1-AZO-DERIVATIVES AS TPO MIMETICS SMITHKLINE BEECHAM CORPORATION 2010-06-24 US disclosed
US-20100160644-A1 NOVEL PROCESSES OF MAKING HYDROXY-1-AZO-DERIVATIVES AS TPO MIMETICS SMITHKLINE BEECHAM CORPORATION 2010-06-24 US disclosed
US-20100160644-A1 NOVEL PROCESSES OF MAKING HYDROXY-1-AZO-DERIVATIVES AS TPO MIMETICS SMITHKLINE BEECHAM CORPORATION 2010-06-24 US disclosed
WO-2008134338-A1 NOVEL PROCESSES OF MAKING HYDROXY-1-AZO-DERIVATIVES AS TPO MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-06 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-20100160644-A1 NOVEL PROCESSES OF MAKING HYDROXY-1-AZO-DERIVATIVES AS TPO MIMETICS TPO, MPL, THPO GPR35 2712/4885EIF4E 4762/4885MAOB 75/4885

“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.