SCHEMBL3056599

SCHEMBL3056599

CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(=O)c4ccc(C#N)cc4)CC2)n3C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.46
SCN9A Q15858 12/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN7A Q01118 2/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 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
Bromide SCHEMBL3063862 0.92 STAT3 (0.53) STAT3
SCHEMBL3067943 0.92 MAPT (0.53) STAT3SCN9AMAPTHTTGAA
Bromide SCHEMBL3061490 0.90 PIK3CA (0.46) STAT3SCN9A
SCHEMBL3055461 0.89 SCN9A (0.54) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL10180906 0.88 STAT3 (0.59) STAT3
SCHEMBL3062169 0.87 SCN9A (0.47) STAT3SCN9ASCN7AKCNH2SCN5A
Bromide SCHEMBL3064401 0.87 STAT3 (0.59) STAT3
Bromide SCHEMBL3056975 0.86 STAT3 (0.57) STAT3
SCHEMBL3052050 0.86 SCN9A (0.50) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL15295440 0.85 STAT3 (0.60) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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 (1 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 STAT3 1499/4885SCN9A 2616/4885MAPT 4138/4885

“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.