SCHEMBL17488253

SCHEMBL17488253

Cn1c(NCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.46
SCN7A Q01118 2/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 1/20 0.42
MCHR1 Q99705 2/20 0.41
SCN10A Q9Y5Y9 3/20 0.39

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
SCHEMBL18965791 0.92 SCN9A (0.45) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL17488116 0.91 NPC1 (0.38) SCN9ASCN7AKCNH2MCHR1SCN10A
SCHEMBL17488131 0.90 MCHR1 (0.41) SCN9AMCHR1
SCHEMBL18965788 0.90 P2RX3 (0.40)
SCHEMBL17488233 0.89 SCN9A (0.46) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL17488242 0.89 NPC1 (0.41)
SCHEMBL18965627 0.89 LMNA (0.41)
SCHEMBL17488173 0.88 CYP3A4 (0.48)
SCHEMBL18965997 0.88 SCN9A (0.42) SCN9ASCN7AKCNH2SCN5ASCN10A
SCHEMBL18965860 0.86 CYP3A4 (0.44)

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 2 patents. 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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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 (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.