SCHEMBL4664658

SCHEMBL4664658

COC(=O)c1ccc(C(=O)NC(C)c2ccc(N)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.57
HDAC4 P56524 6/20 0.57
HDAC1 Q13547 6/20 0.57
HDAC6 Q9UBN7 6/20 0.56
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKACA P17612 1/20 0.42
GRK5 P34947 1/20 0.42
CSNK1A1 P48729 1/20 0.42

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
SCHEMBL6030794 0.89 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL6030791 0.89 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL5046005 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL5046007 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL6030810 0.87 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL6030805 0.87 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL4664626 0.83 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL1588287 0.81 NPSR1 (0.51) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL4463963 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6HDAC7
SCHEMBL5042488 0.80 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC6HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423060-B2 Thiophene hydroxamic acid derivatives and their use as HDAC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-20080070976-A1 Thiophene Hydroxamic Acid Derivatives and Their Use as Hdac Inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 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-20080070976-A1 Thiophene Hydroxamic Acid Derivatives and Their Use as Hdac Inhibitors HDAC1, HDAC5, HDAC2 HDAC3 8/4885HDAC4 7/4885HDAC1 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.