SCHEMBL1015949

SCHEMBL1015949

O=C(Cl)c1ccc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MRGPRX4 Q96LA9 10/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PYGL P06737 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1014170 0.88 MRGPRX4 (0.55) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL2715191 0.86 MRGPRX4 (0.53) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL1013847 0.84 MRGPRX4 (0.58) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL28013065 0.84 MEN1 (0.49) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL9578526 0.83 MAPT (0.39) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL10612858 0.82 THRA (0.48) MEN1MAPTKMT2AMRGPRX4KDM4E
SCHEMBL8303781 0.80 MRGPRX4 (0.61) MRGPRX4
SCHEMBL14317329 0.80 MAPT (0.46) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL2713359 0.79 MLYCD (0.46) MEN1MAPTHTTKMT2ANPSR1
SCHEMBL24959789 0.79 KMO (0.47) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2901/4885MAPT 1092/4885HTT 1267/4885

“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.