SCHEMBL17487340

SCHEMBL17487340

Cn1c(NCc2ccc(Oc3ccc(C(F)(F)F)nc3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNA7 P36544 1/20 0.38
MCHR1 Q99705 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 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
SCHEMBL18965764 0.87 NPC1 (0.41) NPC1RAB9AALDH1A1TP53KDR
SCHEMBL18965927 0.87 TRPC5 (0.41) NPC1RAB9AMCHR1ALDH1A1TP53
SCHEMBL18965770 0.87 NPC1 (0.38) SCN9ANPC1RAB9AMCHR1ALDH1A1
SCHEMBL17488131 0.87 MCHR1 (0.41) SCN9ANPC1RAB9AMCHR1ALDH1A1
SCHEMBL17488220 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1TP53KDR
SCHEMBL18965858 0.86 NPC1 (0.42) NPC1RAB9AALDH1A1TP53BRAF
SCHEMBL18965887 0.86 NPC1 (0.39) NPC1RAB9AMCHR1ALDH1A1TP53
SCHEMBL17488116 0.85 NPC1 (0.38) SCN9ANPC1RAB9AMCHR1ALDH1A1
SCHEMBL17488253 0.85 SCN9A (0.46) SCN9AMCHR1
SCHEMBL18965766 0.84 NPC1 (0.50) NPC1RAB9AALDH1A1TP53

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 2973/4885NPC1 2764/4885RAB9A 3982/4885

“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.