SCHEMBL4935604

SCHEMBL4935604

Cc1cccc(C=N[S+]([O-])C(C)(C)C)c1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MPI P34949 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL4935598 1.00 GPR3 (0.35) GPR3TRPA1ATMMAPTLMNA
SCHEMBL15630922 1.00 GPR3 (0.35) GPR3TRPA1ATMMAPTLMNA
SCHEMBL4933775 0.86 GPR3 (0.41) GPR3MAPTLMNAGAAHTT
SCHEMBL29748388 0.86 GPR3 (0.41) GPR3MAPTLMNAGAAHTT
SCHEMBL12037326 0.86 GPR3 (0.41) GPR3MAPTLMNAGAAHTT
SCHEMBL4933768 0.86 GPR3 (0.41) GPR3MAPTLMNAGAAHTT
SCHEMBL23526197 0.81 MEN1 (0.35) GPR3LMNAKDM4EALDH1A1
SCHEMBL23526194 0.81 MEN1 (0.35) GPR3LMNAKDM4EALDH1A1
SCHEMBL23564418 0.81 MEN1 (0.35) GPR3LMNAKDM4EALDH1A1
SCHEMBL29905052 0.81 MEN1 (0.35) GPR3LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447090-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-09-20 US disclosed
EP-2716642-B1 IMIDAZOPYRIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-07-20 EP disclosed
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2014-03-27 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C GPR3 290/4885TRPA1 2444/4885ATM 3261/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A GPR3 450/4885TRPA1 3097/4885ATM 2294/4885
US-20140088080-A1 IMIDAZOPYRIDINE COMPOUNDS GUCY1A1, PDE2A, GUCY1A2 GPR3 233/4885TRPA1 1626/4885ATM 1877/4885

“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.