SCHEMBL1987352

SCHEMBL1987352

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.43
P2RX7 Q99572 9/20 0.42
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
DDR1 Q08345 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
SCHEMBL1986824 0.86 EPHX2 (0.47) EPHX2P2RX7DDR1
SCHEMBL16538118 0.84 P2RX7 (0.57) EPHX2P2RX7HDAC3HDAC1HDAC2
SCHEMBL1884357 0.84 EPHX2 (0.47) EPHX2P2RX7HDAC3HDAC1HDAC2
SCHEMBL1994282 0.83 EPHX2 (0.44) EPHX2P2RX7MEN1KMT2A
SCHEMBL1991459 0.83 LMNA (0.45) EPHX2P2RX7
SCHEMBL1988822 0.82 SETDB1 (0.49) EPHX2P2RX7DDR1
SCHEMBL1871892 0.82 EPHX2 (0.43) EPHX2P2RX7KMT2ATRPV1DDR1
SCHEMBL1872511 0.81 P2RX7 (0.44) EPHX2P2RX7DDR1
SCHEMBL1870046 0.81 P2RX7 (0.44) EPHX2P2RX7HDAC6KMT2ATRPV1
SCHEMBL27890400 0.81 EPHX2 (0.40) EPHX2P2RX7HDAC3HDAC1HDAC2

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-20110152332-A1 Pesticidal Heterocyclic Compounds BAYER CROPSCIENCE AG (DE) 2011-06-23 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-20110152332-A1 Pesticidal Heterocyclic Compounds DDT, PTMS, CYP4X1 EPHX2 1725/4885P2RX7 156/4885HDAC3 1418/4885

“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.