SCHEMBL2823896

SCHEMBL2823896

O=C(ON1CCC(Oc2ccc(I)cc2)CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
TEAD1 P28347 1/20 0.39
FAAH O00519 1/20 0.38
LIPE Q05469 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ADRB2 P07550 1/20 0.38
MMP2 P08253 3/20 0.38
MMP13 P45452 3/20 0.38
PARP10 Q53GL7 1/20 0.37
ACACB O00763 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SRD5A1 P18405 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL14862265 0.81 CTSV (0.34) EPHX2ACACB
SCHEMBL4715458 0.80 HRH1 (0.47)
SCHEMBL28624652 0.78 CHRM3 (0.45) EPHX2MMP2MMP13ACACBLIPC
SCHEMBL22462835 0.76 HRH3 (0.40) TEAD1GPR119HRH3
SCHEMBL12499951 0.75 SRD5A1 (0.49) EPHX2GPR119SRD5A1
SCHEMBL2116540 0.74 GPR119 (0.65) GPR119HRH3
SCHEMBL24596887 0.74 CYP4F2 (0.51) EPHX2GPR119HRH3SRD5A1
Trifluoroacetic Acid SCHEMBL2823895 0.73 HRH1 (0.53) EPHX2TEAD1PARP10HRH3
SCHEMBL27037272 0.73 LIPG (0.39) EPHX2ACACBLIPCLIPG
SCHEMBL28328550 0.73 EPHX2 (0.46) EPHX2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (2 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-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 EPHX2 602/4885TEAD1 2296/4885FAAH 741/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 EPHX2 996/4885TEAD1 1760/4885FAAH 221/4885

“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.