SCHEMBL17488131

SCHEMBL17488131

Cn1c(NCc2ccc(Oc3ncc(C(F)(F)F)cn3)cc2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDR P35968 3/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
CACNA1B Q00975 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CACNA1H O95180 1/20 0.35
SCN9A Q15858 2/20 0.35
TEK Q02763 1/20 0.35
LMNA P02545 1/20 0.35
IDH1 O75874 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
SCHEMBL17488337 0.92 TP53 (0.40) MCHR1NPC1RAB9ATP53MAPT
SCHEMBL18965887 0.91 NPC1 (0.39) MCHR1NPC1RAB9ATP53MAPT
SCHEMBL18965840 0.91 NPC1 (0.41) MCHR1NPC1RAB9ATP53MAPT
SCHEMBL17488253 0.90 SCN9A (0.46) MCHR1SCN9A
SCHEMBL17488230 0.90 NPC1 (0.42) NPC1RAB9ATP53MAPTGAA
SCHEMBL18965925 0.89 NPC1 (0.41) NPC1RAB9ATP53MAPTKDR
SCHEMBL17487720 0.89 NPC1 (0.41) NPC1RAB9ATP53MAPTKDR
SCHEMBL17488224 0.88 NPC1 (0.45) NPC1RAB9ATP53MAPTKDR
SCHEMBL18965793 0.87 MAPT (0.37) MCHR1NPC1RAB9ATP53MAPT
SCHEMBL18965770 0.87 NPC1 (0.38) MCHR1NPC1RAB9ATP53MAPT

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 MCHR1 2605/4885NPC1 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.