SCHEMBL4370679

SCHEMBL4370679

Nc1ccncc1Oc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.52
PTGS2 P35354 6/20 0.52
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.42
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
CDC7 O00311 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
VCAM1 P19320 1/20 0.42
CDK2 P24941 1/20 0.42
FLT4 P35916 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 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
SCHEMBL9853810 0.82 PTGS1 (0.54) PTGS1PTGS2MAPTICAM1SELE
SCHEMBL7054411 0.82 TEAD4 (0.47) PTGS1PTGS2MAPTGAAICAM1
SCHEMBL4370948 0.82 PTGS1 (0.52) PTGS1PTGS2MAPTGAAICAM1
SCHEMBL4374807 0.81 PTGS1 (0.50) PTGS1PTGS2GAAICAM1SELE
Hydrochloric Acid SCHEMBL9853816 0.80 PTGS1 (0.49) PTGS1PTGS2GAAICAM1SELE
SCHEMBL1282569 0.79 GAA (0.38) PTGS1PTGS2GAACA12CA1
SCHEMBL9853800 0.78 MAPT (0.50) PTGS1PTGS2MAPTLTA4HCA12
SCHEMBL9853612 0.75 GAA (0.65) MAPTGAACYP1A2CYP3A4CYP2D6
SCHEMBL4373612 0.74 GAA (0.46) PTGS1PTGS2MAPTGAAPIM1
SCHEMBL1283691 0.73 GAA (0.58) PTGS1MAPTGAALTA4HCYP1A2

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 13/4885MAPT 4060/4885
US-20050020642-A1 Pyridinic sulfonamide derivatives method of production and use thereof ARSA, PTGIS, C3AR1 PTGS1 4/4885PTGS2 31/4885MAPT 4341/4885

“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.