SCHEMBL2857893

SCHEMBL2857893

O=C(O)C=Cc1ccc2cccc(OS(=O)(=O)C(F)(F)F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 8/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PFKFB3 Q16875 3/20 0.41
NPC1 O15118 8/20 0.40
RAB9A P51151 7/20 0.40
MEN1 O00255 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
ECE2 P0DPD6 1/20 0.39
AGTR1 P30556 2/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL2857890 1.00 KDM4E (0.47) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL12066587 0.79 KMT2A (0.62) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL7513556 0.79 KMT2A (0.62) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL7513553 0.79 KMT2A (0.62) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL2944266 0.78 METAP2 (0.40) KDM4EKMT2ADRD2DRD3
SCHEMBL2119053 0.77 KMT2A (0.39) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL2119056 0.77 KMT2A (0.39) KDM4ELMNAKMT2AALDH1A1HPGD
SCHEMBL2854566 0.76 KMT2A (0.63) KDM4ELMNAKMT2AMAPTL3MBTL1
SCHEMBL2854571 0.76 KMT2A (0.63) KDM4ELMNAKMT2AMAPTL3MBTL1
SCHEMBL2856921 0.76 KMT2A (0.63) KDM4ELMNAKMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 KDM4E 1206/4885LMNA 4564/4885KMT2A 1661/4885

“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.