SCHEMBL1014887

SCHEMBL1014887

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.46
NPC1 O15118 9/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 9/20 0.44
TP53 P04637 7/20 0.44
NR1H4 Q96RI1 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 2/20 0.43
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1012400 0.89 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL4321698 0.86 S1PR1 (0.46) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1015208 0.82 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1014383 0.81 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1016620 0.78 HDAC1 (0.39) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL12881066 0.73 L3MBTL1 (0.46) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1014151 0.73 HDAC1 (0.43) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1015459 0.72 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL11983603 0.72 S1PR1 (0.70) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL1014369 0.72 NPC1 (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53

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 14 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
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 70/4885MAPT 1092/4885

“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.