SCHEMBL3067943

SCHEMBL3067943

COc1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Oc5ccc(N(C)C(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
STAT3 P40763 4/20 0.49
SCN9A Q15858 11/20 0.48
PIK3CA P42336 1/20 0.47
PRKAA2 P54646 1/20 0.47
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LIPE Q05469 1/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCN7A Q01118 2/20 0.44
KCNH2 Q12809 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL10181050 0.92 STAT3 (0.59) STAT3PIK3CAPRKAA2
SCHEMBL3056599 0.92 STAT3 (0.46) MAPTHTTSTAT3SCN9AGAA
SCHEMBL3055461 0.90 SCN9A (0.54) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3062169 0.90 SCN9A (0.47) STAT3SCN9ASCN7AKCNH2SCN5A
SCHEMBL3050846 0.89 SCN9A (0.47) MAPTHTTSTAT3SCN9APIK3CA
Maleic Acid SCHEMBL3056841 0.89 STAT3 (0.56) STAT3PIK3CAPRKAA2
Fumaric Acid SCHEMBL3056843 0.89 STAT3 (0.56) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3056616 0.89 STAT3 (0.52) STAT3PIK3CAPRKAA2
Bromide SCHEMBL3056975 0.89 STAT3 (0.57) STAT3PIK3CAPRKAA2
SCHEMBL3052050 0.89 SCN9A (0.50) STAT3SCN9ASCN7AKCNH2SCN5A

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 MAPT 4138/4885HTT 1225/4885STAT3 1499/4885

“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.