SCHEMBL5852499

SCHEMBL5852499

O=C(COCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.72
HDAC4 P56524 1/20 0.72
HDAC1 Q13547 1/20 0.72
HDAC7 Q8WUI4 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC10 Q969S8 1/20 0.72
HDAC11 Q96DB2 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
HDAC9 Q9UKV0 1/20 0.72
HDAC5 Q9UQL6 1/20 0.72
NPC1 O15118 1/20 0.55
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51

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
SCHEMBL5852543 0.87 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5852664 0.84 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5852357 0.84 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6150548 0.81 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5853895 0.81 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5852604 0.80 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5854968 0.79 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5852513 0.78 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5853937 0.76 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9757630 0.75 KDM4E (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091229-B2 Tricyclic lactam and sultam derivatives and their use as histone deacetylase inhibitors HOFFMAN-LA ROCHE INC. (US) 2006-08-15 US claimed
EP-1358168-B1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-08-10 EP claimed
US-20040077698-A1 Tricyclic lactam and sultam derivatives and their use as histone deacetylase inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-04-22 US claimed
EP-1358168-A1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP claimed
WO-2002062773-A1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 WO claimed
US-7091229-B2 Tricyclic lactam and sultam derivatives and their use as histone deacetylase inhibitors HOFFMAN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1358168-B1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-08-10 EP disclosed
US-20040077698-A1 Tricyclic lactam and sultam derivatives and their use as histone deacetylase inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-04-22 US disclosed
EP-1358168-A1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002062773-A1 TRICYCLIC LACTAM AND SULTAM DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 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 (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-20040077698-A1 Tricyclic lactam and sultam derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC11, HDAC9 HDAC3 9/4885HDAC4 8/4885HDAC1 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.