SCHEMBL18965997

SCHEMBL18965997

Cn1c(NCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc2c(F)cc(NC3COC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.42
SCN7A Q01118 2/20 0.38
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
LIPE Q05469 3/20 0.37
LMNA P02545 1/20 0.36
CHRNA7 P36544 1/20 0.36
SCN10A Q9Y5Y9 2/20 0.35

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
SCHEMBL18965793 0.91 MAPT (0.37) SCN9ATP53GAAMAPT
SCHEMBL18965979 0.89 CYP3A4 (0.43)
SCHEMBL17488253 0.88 SCN9A (0.46) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL17488249 0.83 NPC1 (0.34) MAPTLMNA
SCHEMBL17488336 0.82 SCN9A (0.42) SCN9ASCN7AKCNH2SCN5ALIPE
SCHEMBL18965791 0.81 SCN9A (0.45) SCN9ASCN7AKCNH2SCN5ATP53
SCHEMBL17488233 0.80 SCN9A (0.46) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL18965788 0.79 P2RX3 (0.40) TP53LMNA
SCHEMBL17488116 0.78 NPC1 (0.38) SCN9ASCN7AKCNH2TP53MAPT
SCHEMBL17488131 0.78 MCHR1 (0.41) SCN9ATP53GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 SCN9A 2973/4885SCN7A 1309/4885KCNH2 3490/4885

“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.