SCHEMBL1014369

SCHEMBL1014369

COc1cc(-c2nc(-c3cccc4cnccc34)no2)ccc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
RAB9A P51151 6/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 5/20 0.54
S1PR1 P21453 8/20 0.51
S1PR3 Q99500 2/20 0.51
S1PR5 Q9H228 1/20 0.50
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Valine SCHEMBL4304294 0.90 S1PR1 (0.50) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL1015459 0.88 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL11983603 0.86 S1PR1 (0.70) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL4311124 0.77 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL1014383 0.76 RAB9A (0.46) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL4304299 0.75 S1PR1 (0.48) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL1015235 0.75 RAB9A (0.42) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL1015208 0.75 RAB9A (0.44) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10
SCHEMBL1015414 0.73 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL1014887 0.72 RAB9A (0.46) NPC1SMN1; SMN2RAB9AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US claimed
EP-2167469-B1 SULFONYL-QUINOLINE DERIVATIVES RICHTER GEDEON NYRT (HU) 2012-08-15 EP claimed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP claimed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US claimed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO claimed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 NPC1 70/4885SMN1; SMN2 889/4885RAB9A 1887/4885

“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.