SCHEMBL7361932

SCHEMBL7361932

O=C(CCCCCCC(=O)C(F)(F)F)Nc1cccc(-c2cccnc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.74
HDAC6 Q9UBN7 12/20 0.74
HDAC3 O15379 11/20 0.74
HDAC4 P56524 11/20 0.74
HDAC7 Q8WUI4 11/20 0.74
HDAC2 Q92769 11/20 0.74
HDAC10 Q969S8 11/20 0.74
HDAC11 Q96DB2 11/20 0.74
HDAC8 Q9BY41 11/20 0.74
HDAC9 Q9UKV0 11/20 0.74
HDAC5 Q9UQL6 11/20 0.74
NCOR1 O75376 1/20 0.60
ABL1 P00519 2/20 0.53
BCR P11274 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
PDGFRB P09619 1/20 0.52
SRC P12931 1/20 0.52
PDGFRA P16234 1/20 0.52
PRKCA P17252 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
SCHEMBL7363594 0.87 HDAC3 (0.71) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7367562 0.86 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7365712 0.82 HDAC1 (0.80) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL16016657 0.80 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7368436 0.80 HDAC1 (0.78) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7366696 0.79 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7371472 0.79 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7372528 0.79 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7368470 0.78 HDAC1 (0.75) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL14005995 0.77 CHRNA7 (0.80) CHRNA7

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 HDAC1 1/4885HDAC6 11/4885HDAC3 6/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 7/4885HDAC3 3/4885

“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.