SCHEMBL3062264

SCHEMBL3062264

Cn1c(C(=O)N2CCNCC2)cc2ccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 13/20 0.54
SCN9A Q15858 2/20 0.53
SCN7A Q01118 2/20 0.53
KCNH2 Q12809 2/20 0.53
SCN5A Q14524 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
BRD4 O60885 1/20 0.47

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
SCHEMBL3051748 0.94 SCN9A (0.53) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3062716 0.93 SCN9A (0.51) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3056955 0.90 SCN9A (0.49) STAT3SCN9ASCN7AKCNH2SCN5A
Hydrochloric Acid SCHEMBL3047175 0.90 SCN9A (0.49) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3050627 0.89 STAT3 (0.54) STAT3SCN9ARAB9ANPC1TNF
SCHEMBL3051080 0.88 HRH3 (0.46) STAT3SCN9ASCN7AKCNH2SCN5A
Hydrochloric Acid SCHEMBL3062000 0.87 STAT3 (0.57) STAT3SCN9ARAB9A
Hydrochloric Acid SCHEMBL10180648 0.87 SCN9A (0.51) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3059732 0.86 SCN9A (0.54) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3063119 0.86 GAA (0.58) STAT3RAB9ANPC1TNFNOD1

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 2616/4885SCN7A 3238/4885

“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.