SCHEMBL4134847

SCHEMBL4134847

COc1ccnc(CCc2nc3cc(-c4ccc(S(N)(=O)=O)cc4)cnc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.52
NOS1 P29475 9/20 0.52
NOS3 P29474 6/20 0.52
CYP2C9 P11712 1/20 0.45
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
IKBKB O14920 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
FGFR3 P22607 3/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL4148356 0.90 NOS2 (0.52) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4151507 0.89 NOS2 (0.51) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL4137730 0.88 NOS2 (0.50) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL2831944 0.87 NOS1 (0.49) NOS2NOS1NOS3CYP2C9IKBKB
SCHEMBL4134667 0.87 NOS2 (0.49) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL5033966 0.87 NOS2 (0.57) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL2831974 0.87 NOS1 (0.55) NOS2NOS1NOS3CYP2C9
SCHEMBL2836532 0.87 NOS2 (0.49) NOS2NOS1NOS3CYP2C9IKBKB
SCHEMBL5041160 0.86 NOS2 (0.58) NOS2NOS1NOS3CYP2C9FGFR3
SCHEMBL2839639 0.86 NOS1 (0.48) NOS2NOS1NOS3CYP2C9IKBKB

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
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
US-20090036482-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2009-02-05 US disclosed
US-7468377-B2 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-12-23 US disclosed
EP-1675854-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
US-20070043073-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 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 (3 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885
US-20090036482-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885
US-20070043073-A1 Imidazopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885

“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.