SCHEMBL1014151

SCHEMBL1014151

FC(F)(F)COc1ccc(-c2nc(-c3cccc4cnccc34)no2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
S1PR1 P21453 6/20 0.42
S1PR3 Q99500 2/20 0.42
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
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
SCHEMBL1016620 0.93 HDAC1 (0.39) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL3737030 0.79 HDAC1 (0.53) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL1012400 0.78 RAB9A (0.44) S1PR1POLBEPHX2ALDH1A1RAB9A
SCHEMBL3734645 0.76 HDAC1 (0.58) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL3740043 0.76 HDAC1 (0.50) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL3749726 0.76 NR1H4 (0.50) HDAC1HDAC6HDAC5HDAC8S1PR1
SCHEMBL1014887 0.73 RAB9A (0.46) S1PR1S1PR3POLBALDH1A1NPSR1
SCHEMBL1015208 0.73 RAB9A (0.44) S1PR1S1PR3POLBALDH1A1RAB9A
SCHEMBL1014093 0.72 S1PR1 (0.53) S1PR1S1PR3ALDH1A1NPSR1RAB9A
SCHEMBL11983603 0.71 S1PR1 (0.70) S1PR1S1PR3ALDH1A1NPSR1RAB9A

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 HDAC1 484/4885HDAC6 115/4885HDAC5 405/4885

“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.