SCHEMBL1014383

SCHEMBL1014383

CCC(C)Oc1ccc(-c2nc(-c3cccc4cnccc34)no2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
NPC1 O15118 8/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
TP53 P04637 5/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
S1PR1 P21453 8/20 0.45
S1PR3 Q99500 3/20 0.45
MAPT P10636 5/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL1015208 0.85 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1014887 0.81 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1012400 0.78 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1015459 0.76 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1014369 0.76 NPC1 (0.55) RAB9ANPC1SMN1; SMN2TP53S1PR1
SCHEMBL1015235 0.74 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53S1PR1
SCHEMBL11983603 0.73 S1PR1 (0.70) RAB9ANPC1SMN1; SMN2S1PR1S1PR3
SCHEMBL4321698 0.73 S1PR1 (0.46) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1014093 0.73 S1PR1 (0.53) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1015412 0.71 S1PR1 (0.46) RAB9ANPC1SMN1; SMN2S1PR1S1PR3

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-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
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 RAB9A 1887/4885NPC1 70/4885SMN1; SMN2 889/4885

“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.