SCHEMBL4606922

SCHEMBL4606922

Cc1nc(Br)c(-c2ccc(OC(F)(F)F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 6/20 0.42
KCNH2 Q12809 4/20 0.42
SCN5A Q14524 3/20 0.42
SCN1A P35498 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
GAA P10253 1/20 0.39
NOTUM Q6P988 1/20 0.38
CASP3 P42574 1/20 0.38
CHRNA7 P36544 1/20 0.38
KIF11 P52732 1/20 0.37
IDO1 P14902 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4606792 0.79 PPARD (0.37) KCNH2SCN5AF2RL3NISCHCASP3
SCHEMBL5527887 0.79 ALDH1A1 (0.45) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL14435924 0.77 SMN1; SMN2 (0.46) NPSR1
SCHEMBL5522687 0.74 ALOX5 (0.58) GAA
SCHEMBL4609032 0.70 NPSR1 (0.42) SCN5ASCN1ASCN2APOLBL3MBTL1
SCHEMBL2056199 0.69 ABL1 (0.56) SCN5ASCN9APOLBL3MBTL1GAA
SCHEMBL4607549 0.69 AOC3 (0.51) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL5524292 0.69 GAA (0.49) SCN10AGAA
SCHEMBL11267114 0.68 TRPV1 (0.45) SCN10AKCNH2SCN5ASCN1ASCN9A
SCHEMBL25247821 0.67 ALDH1A1 (0.37) SCN10AKCNH2SCN5ASCN1ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
CN-101304993-A Compounds and compositions as ppar modulators IRM LLC (BM) 2008-11-12 CN disclosed
EP-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
CN-1980906-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 CN disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD SCN10A 3266/4885KCNH2 4604/4885SCN5A 3507/4885
US-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD SCN10A 3135/4885KCNH2 4662/4885SCN5A 3430/4885

“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.