SCHEMBL4664626

SCHEMBL4664626

COC(=O)c1ccc(C(=O)NC(C)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC6 Q9UBN7 4/20 0.50
POLB P06746 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
PHGDH O43175 1/20 0.45
CYP2C9 P11712 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL6030791 0.83 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL6030794 0.83 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL4664658 0.83 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL5046005 0.82 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL5046007 0.82 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL6030805 0.81 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL6030810 0.81 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL6984561 0.77 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL1588287 0.76 NPSR1 (0.51) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL4463963 0.76 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6ALDH1A1

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.