SCHEMBL5852574

SCHEMBL5852574

O=C(CCCCCCN1c2ccc([N+](=O)[O-])c3cccc(c23)S1(=O)=O)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.66
HDAC2 Q92769 12/20 0.66
HDAC6 Q9UBN7 8/20 0.66
HDAC3 O15379 5/20 0.66
HDAC11 Q96DB2 5/20 0.66
HDAC8 Q9BY41 5/20 0.66
HDAC4 P56524 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC10 Q969S8 4/20 0.66
HDAC9 Q9UKV0 4/20 0.66
HDAC5 Q9UQL6 4/20 0.66
NCOR2 Q9Y618 1/20 0.59
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL5852570 0.84 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL5852363 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL5852592 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL5852509 0.82 HDAC1 (0.66) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL9757308 0.81 HTR7 (0.48) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL5852357 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL5852664 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL7073791 0.78 HDAC1 (0.63) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL27498036 0.78 HDAC3 (0.45) HDAC1HDAC2HDAC6HDAC3HDAC11
SCHEMBL4886855 0.69 HDAC1 (0.65) HDAC1HDAC2HDAC6HDAC3HDAC11

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 7 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
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
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 HDAC1 1/4885HDAC2 10/4885HDAC6 11/4885

“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.