SCHEMBL6079682

SCHEMBL6079682

Nc1ncccc1OCc1ccc(F)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MAPT P10636 1/20 0.65
MAPK14 Q16539 2/20 0.62
LTA4H P09960 1/20 0.62
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR6 P50406 2/20 0.43
LRRK2 Q5S007 1/20 0.42
LMNA P02545 1/20 0.41
MET P08581 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL6079136 0.87 NPC1 (0.77) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL6079578 0.84 LTA4H (0.75) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL26917266 0.82 LTA4H (0.67) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL29858025 0.82 LTA4H (0.67) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL3458321 0.81 LTA4H (0.66) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL3501194 0.80 LTA4H (0.73) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL6027467 0.79 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL23631385 0.79 LTA4H (0.77) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL6079949 0.79 NPC1 (0.69) NPC1RAB9AMAPTMAPK14LTA4H
SCHEMBL9747413 0.79 LTA4H (0.67) NPC1RAB9AMAPTMAPK14LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 NPC1 1969/4885RAB9A 2580/4885MAPT 2630/4885

“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.