SCHEMBL7368316

SCHEMBL7368316

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EPHX2 P34913 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FAAH O00519 3/20 0.49
CES1 P23141 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL7372287 0.86 MEN1 (0.54) TP53KMT2AMEN1EPHX2RAB9A
SCHEMBL4079701 0.85 SMN1; SMN2 (0.65) TP53KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7367746 0.85 MLYCD (0.56) KMT2AMEN1NPC1RAB9AFAAH
SCHEMBL7368984 0.84 MEN1 (0.76) KMT2AMEN1EPHX2SMN1; SMN2FAAH
SCHEMBL7365700 0.83 TRPV1 (0.61) TP53KMT2AMEN1SMN1; SMN2FAAH
SCHEMBL7366428 0.82 EPHX2 (0.58) KMT2AMEN1EPHX2FAAHHDAC3
SCHEMBL7363832 0.81 EPHX2 (0.74) KMT2AMEN1EPHX2SMN1; SMN2FAAH
SCHEMBL11863114 0.81 SMN1; SMN2 (0.57) TP53KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6646248 0.80 HPGD (0.68) KMT2AEPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL4079697 0.80 SMN1; SMN2 (0.75) TP53KMT2AMEN1SMN1; SMN2NPC1

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 TP53 3474/4885KMT2A 25/4885MEN1 3460/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 TP53 1183/4885KMT2A 86/4885MEN1 2868/4885

“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.