SCHEMBL6507848

SCHEMBL6507848

O=C(NO)c1ccc2c(c1)nc(-c1ccccc1)n2CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.65
HDAC1 Q13547 7/20 0.65
HDAC8 Q9BY41 5/20 0.65
JAK2 O60674 2/20 0.61
JAK1 P23458 2/20 0.61
TYK2 P29597 2/20 0.61
JAK3 P52333 2/20 0.61
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
EHMT2 Q96KQ7 1/20 0.50
EHMT1 Q9H9B1 1/20 0.50

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
SCHEMBL6519295 0.82 PTGER4 (0.61) HDAC6HDAC1HDAC8JAK2JAK1
SCHEMBL21975920 0.81 HDAC6 (0.95) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6511758 0.80 HDAC1 (0.80) HDAC6HDAC1HDAC8
SCHEMBL6509075 0.80 HDAC1 (0.80) HDAC6HDAC1HDAC8
SCHEMBL18229537 0.79 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL15314762 0.77 ALDH1A1 (0.73) HDAC6HDAC1HDAC8
SCHEMBL29411911 0.77 ALDH1A1 (0.73) HDAC6HDAC1HDAC8
SCHEMBL3578681 0.77 HDAC1 (1.00) HDAC6HDAC1HDAC8EHMT2EHMT1
SCHEMBL28503563 0.76 ALDH1A1 (0.63) JAK2JAK1TYK2JAK3EHMT2
SCHEMBL5564854 0.76 HDAC8 (0.66) HDAC6HDAC1HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC6 10/4885HDAC1 1/4885HDAC8 7/4885

“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.