SCHEMBL1884357

SCHEMBL1884357

O=C(O)NCc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.47
P2RX7 Q99572 7/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 1/20 0.40
NTRK1 P04629 1/20 0.40
DDR1 Q08345 1/20 0.39

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
SCHEMBL23275536 0.88 DDR1 (0.41) EPHX2P2RX7PPARGNTRK1DDR1
SCHEMBL1988822 0.86 SETDB1 (0.49) EPHX2P2RX7DDR1
SCHEMBL1987352 0.84 EPHX2 (0.43) EPHX2P2RX7HDAC3HDAC1HDAC2
SCHEMBL1986824 0.84 EPHX2 (0.47) EPHX2P2RX7PPARGDDR1
SCHEMBL4678727 0.83 EPHX2 (0.48) EPHX2P2RX7PPARGNTRK1
SCHEMBL1994282 0.81 EPHX2 (0.44) EPHX2P2RX7PPARG
SCHEMBL1873856 0.81 EPHX2 (0.59) EPHX2P2RX7
SCHEMBL1871892 0.80 EPHX2 (0.43) EPHX2P2RX7DDR1
SCHEMBL12656366 0.80 EPHX2 (0.46) EPHX2DDR1
SCHEMBL29009933 0.79 PTGDR2 (0.37) EPHX2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ EPHX2 705/4885P2RX7 1235/4885HDAC3 865/4885

“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.