SCHEMBL4385568

SCHEMBL4385568

Nc1ccncc1Oc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
PTGS2 P35354 1/20 0.56
CYP19A1 P11511 1/20 0.50
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
RHEB Q15382 2/20 0.42

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
SCHEMBL11546890 0.85 PTGS1 (0.60) PTGS1PTGS2CYP19A1ICAM1SELE
SCHEMBL4373612 0.85 GAA (0.46) PTGS1PTGS2CYP19A1CYP1A2CYP2C9
SCHEMBL4370948 0.80 PTGS1 (0.52) PTGS1PTGS2ICAM1SELEVCAM1
SCHEMBL4374807 0.80 PTGS1 (0.50) PTGS1PTGS2ICAM1SELECYP1A2
SCHEMBL633342 0.78 GAA (0.64) L3MBTL1CYP1A2CYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL9853816 0.78 PTGS1 (0.49) PTGS1PTGS2ICAM1SELECYP1A2
SCHEMBL9853612 0.76 GAA (0.65) CYP19A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11545629 0.75 LMNA (0.75) PTGS1PTGS2CYP19A1LMNATDP1
SCHEMBL15392042 0.73 CYP19A1 (0.56) PTGS1PTGS2CYP19A1ICAM1SELE
SCHEMBL7390045 0.72 CYP1A2 (0.66) CYP19A1L3MBTL1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432684-B1 PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIV LIEGE (BE) 2009-03-25 EP disclosed
US-20070173534-A1 Pyridinic sulfonamide derivatives method of production and use thereof UNIVERSITE DE LIEGE 2007-07-26 US disclosed
US-7226936-B2 Pyridinic sulfonamide derivatives method of production and use thereof UNIVERSITY DE LIEGE (BE) 2007-06-05 US disclosed
US-20050020642-A1 Pyridinic sulfonamide derivatives method of production and use thereof UNIVERSITE DE LIEGE (BE) 2005-01-27 US disclosed
EP-1432684-A2 PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF University of Liege (BE) 2004-06-30 EP disclosed
WO-2003029217-A2 PYRIDINIC SULFONAMIDE DERIVATIVES, METHOD OF PRODUCTION AND USE THEREOF UNIVERSITE DE LIEGE (BE) 2003-04-10 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 (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-20070173534-A1 Pyridinic sulfonamide derivatives method of production and use thereof PTGIS, ARSA, C3AR1 PTGS1 4/4885PTGS2 13/4885CYP19A1 118/4885
US-20050020642-A1 Pyridinic sulfonamide derivatives method of production and use thereof ARSA, PTGIS, C3AR1 PTGS1 4/4885PTGS2 31/4885CYP19A1 90/4885

“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.