SCHEMBL7366428

SCHEMBL7366428

O=C(CCCCCCC(=O)C(F)(F)F)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
MAPK14 Q16539 1/20 0.55
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
FAAH O00519 3/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR1 P21554 1/20 0.50

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
SCHEMBL7363832 0.89 EPHX2 (0.74) EPHX2HDAC1HDAC6FAAHMEN1
SCHEMBL17335666 0.88 EPHX2 (0.72) EPHX2MAPK14FAAHCNR1
SCHEMBL934427 0.86 EPHX2 (0.66) EPHX2MAPK14FAAHROCK2ROCK1
SCHEMBL3638883 0.84 EPHX2 (0.58) EPHX2MAPK14FAAHROCK2ROCK1
SCHEMBL7372287 0.84 MEN1 (0.54) EPHX2HDAC1HDAC2HDAC3HDAC10
SCHEMBL7368316 0.82 TP53 (0.53) EPHX2HDAC1HDAC2HDAC3HDAC10
SCHEMBL7367746 0.82 MLYCD (0.56) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL7368984 0.82 MEN1 (0.76) EPHX2HDAC1HDAC2HDAC3HDAC10
SCHEMBL934551 0.81 GLS (0.61) EPHX2MAPK14ROCK2ROCK1
SCHEMBL7364423 0.80 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US claimed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 EPHX2 3092/4885MAPK14 1386/4885HDAC1 1/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 EPHX2 3982/4885MAPK14 2588/4885HDAC1 1/4885

“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.