SCHEMBL17488116

SCHEMBL17488116

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPC5 Q9UL62 1/20 0.38
LCK P06239 1/20 0.36
SCN9A Q15858 3/20 0.36
CYP3A4 P08684 2/20 0.36
IDH1 O75874 4/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 2/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
KDR P35968 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL18965887 0.91 NPC1 (0.39) NPC1RAB9ATRPC5LCKCYP3A4
SCHEMBL18965927 0.91 TRPC5 (0.41) NPC1RAB9ATRPC5LCKCYP3A4
SCHEMBL17488253 0.91 SCN9A (0.46) SCN9ASCN10AMCHR1SCN7AKCNH2
SCHEMBL18965627 0.90 LMNA (0.41) NPC1RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL18965788 0.90 P2RX3 (0.40) NPC1RAB9ACYP3A4ALDH1A1TP53
SCHEMBL17488242 0.89 NPC1 (0.41) NPC1RAB9ACYP3A4ALDH1A1KDM4E
SCHEMBL17488173 0.88 CYP3A4 (0.48) NPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL18965860 0.86 CYP3A4 (0.44) NPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL17488241 0.86 P2RX3 (0.44) NPC1RAB9ACYP3A4ALDH1A1TP53
SCHEMBL17487340 0.85 SCN9A (0.45) NPC1RAB9ASCN9AALDH1A1MCHR1

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 NPC1 2764/4885RAB9A 3982/4885TRPC5 1039/4885

“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.