SCHEMBL7367746

SCHEMBL7367746

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC3 O15379 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 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
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PLA2G1B P04054 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL7368316 0.85 TP53 (0.53) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL7368984 0.84 MEN1 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7366428 0.82 EPHX2 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7363832 0.81 EPHX2 (0.74) L3MBTL1HDAC1HDAC6MEN1KMT2A
SCHEMBL249436 0.81 L3MBTL1 (0.61) MLYCDL3MBTL1NPC1RAB9AMEN1
SCHEMBL2420380 0.81 L3MBTL1 (0.68) MLYCDL3MBTL1NPC1RAB9AMEN1
SCHEMBL18255394 0.81 EPHX2 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL15682814 0.80 L3MBTL1 (0.60) MLYCDL3MBTL1NPC1RAB9AMEN1
SCHEMBL26225269 0.79 EPHX2 (0.63) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 MLYCD 1519/4885L3MBTL1 2415/4885NPC1 1574/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 MLYCD 2599/4885L3MBTL1 2041/4885NPC1 285/4885

“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.