SCHEMBL4893253

SCHEMBL4893253

O=C(NCc1ccccn1)c1ccc(C(=O)NNc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
LMNA P02545 2/20 0.71
POLB P06746 1/20 0.71
MAPK14 Q16539 1/20 0.66
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
CA2 P00918 1/20 0.61
HPGD P15428 2/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 1/20 0.57
NAMPT P43490 2/20 0.56
PTGS2 P35354 1/20 0.55

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
SCHEMBL4748727 0.86 NPC1 (0.52) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL166484 0.85 LMNA (0.82) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL21768049 0.84 LMNA (0.76) NPC1RAB9ALMNAPOLBMAPK14
Hydrochloric Acid SCHEMBL27843329 0.84 LMNA (0.80) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL1393086 0.83 LMNA (1.00) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL14005158 0.80 KMT2A (0.66) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL18031536 0.80 LMNA (0.74) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL11625676 0.80 LMNA (0.74) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL11626590 0.80 POLB (0.74) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL13102332 0.80 RAB9A (0.74) NPC1RAB9ALMNAPOLBMAPK14

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 NPC1 363/4885RAB9A 1363/4885LMNA 4687/4885

“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.