SCHEMBL5485794

SCHEMBL5485794

CC=CNC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL14157935 0.84 CA2 (0.50) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL5629194 0.79
SCHEMBL16330338 0.75 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7142955 0.73 CA2 (0.40) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1358140 0.73
SCHEMBL6194847 0.73
SCHEMBL28933600 0.70
SCHEMBL555475 0.70
SCHEMBL7716898 0.70 EPHX1 (0.42) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1935820 0.69

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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 CA2 2071/4885ALDH1A1 1725/4885POLB 4330/4885

“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.