SCHEMBL1608428

SCHEMBL1608428

O=C(NO)c1ccc2ncn(Cc3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
HDAC6 Q9UBN7 8/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC8 Q9BY41 4/20 0.52
LMNA P02545 1/20 0.50
IDO1 P14902 1/20 0.44
EPHX2 P34913 1/20 0.43
ACP1 P24666 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FLT3 P36888 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
SCHEMBL3407819 0.89 HDAC6 (0.51) PPARGHDAC6HDAC1LMNAIDO1
SCHEMBL1608534 0.87 HDAC6 (0.60) PPARGHDAC6HDAC1HDAC8LMNA
SCHEMBL1608654 0.86 HDAC6 (0.49) PPARGHDAC6HDAC1HDAC8EPHX2
SCHEMBL1608399 0.86 HDAC6 (0.67) PPARGHDAC6HDAC1HDAC8IDO1
SCHEMBL1608637 0.83 HDAC8 (0.46) PPARGHDAC6HDAC1HDAC8EPHX2
SCHEMBL15399884 0.83 HDAC1 (0.55) PPARGHDAC6HDAC1HDAC8IDO1
SCHEMBL1607561 0.82 HDAC1 (0.62) HDAC6HDAC1IDO1FLT3
SCHEMBL1608124 0.81 HDAC6 (0.63) PPARGHDAC6HDAC1HDAC8IDO1
SCHEMBL1607589 0.80 HDAC1 (0.73) PPARGHDAC6HDAC1HDAC8IDO1
SCHEMBL1608388 0.79 HDAC8 (0.58) PPARGHDAC6HDAC1HDAC8ALDH1A1

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
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 PPARG 1050/4885HDAC6 11/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 PPARG 1266/4885HDAC6 11/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 PPARG 1050/4885HDAC6 11/4885HDAC1 2/4885

“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.