SCHEMBL4490669

SCHEMBL4490669

NC(c1ccc(Br)cc1)C(F)(F)F.O=C(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
MLYCD O95822 10/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OGG1 O15527 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL17216 0.82 CES1 (0.60) CES1MLYCDCES2LMNAHSP90AA1
SCHEMBL4509253 0.82 HTR2A (0.39) CA1CA2DPP4DPP7
SCHEMBL1048801 0.82 HTR2A (0.39) CA1CA2DPP4DPP7
SCHEMBL1050341 0.82 HTR2A (0.39) CA1CA2DPP4DPP7
Hydrochloric Acid SCHEMBL1864740 0.80 HTR2A (0.38) CA1CA2DPP4DPP7
Hydrochloric Acid SCHEMBL4513936 0.80 HTR2A (0.38) CA1CA2DPP4DPP7
Hydrochloric Acid SCHEMBL16653694 0.80 HTR2A (0.38) CA1CA2DPP4DPP7
SCHEMBL20768664 0.75 ANPEP (0.52) CA1CA2
SCHEMBL5014652 0.73 CES1 (0.48) CES1MLYCDCES2LMNAHSP90AA1
SCHEMBL19331703 0.71 DPP4 (0.51) MEN1KMT2AMAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH CES1 512/4885MLYCD 233/4885MEN1 2309/4885

“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.