SCHEMBL5828284

SCHEMBL5828284

O=[N+]([O-])c1ccc2c(c1)C=C(OS(=O)(=O)C(F)(F)F)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA5A P35218 1/20 0.37
PNMT P11086 4/20 0.36
ADRA2A P08913 2/20 0.36
CA12 O43570 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL30942635 1.00 PDE4A (0.37) PDE4APDE4CPDE4DCA1CA2
SCHEMBL225035 0.77 CYP11B2 (0.41)
SCHEMBL10283628 0.77 PTGS2 (0.36)
SCHEMBL355590 0.77 ALDH1A1 (0.39) CA1CA2CA9CA12MAPT
SCHEMBL30152331 0.76 GPR84 (0.35)
SCHEMBL225622 0.76 GPR84 (0.35)
SCHEMBL354113 0.73 PDK2 (0.39) CA1CA2CA9CA12GAA
SCHEMBL8616810 0.72 HSPB1 (0.51) PDE4APDE4CPDE4DMAPTGAA
SCHEMBL19230505 0.71 SRD5A1 (0.33) CA1CA2CA9CA5APNMT
SCHEMBL6360846 0.71 KDM4E (0.37) CA1CA2MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026357-B2 Diphenylurea compounds LES LABORATOIRES SERVIER (FR) 2006-04-11 US disclosed
EP-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
US-20040224993-A1 Diphenylurea compounds LAVIELLE GILBERT (FR) 2004-11-11 US disclosed
US-6784183-B2 ANTISEROTONINE AGENTS LES LABORATOIRES SERVIER (FR) 2004-08-31 US disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP 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 (2 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-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A PDE4A 1234/4885PDE4C 1658/4885PDE4D 2271/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A PDE4A 527/4885PDE4C 627/4885PDE4D 526/4885

“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.