SCHEMBL1608357

SCHEMBL1608357

O=C(NO)c1ccc2ncn(Cc3ccccc3F)c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
HDAC6 Q9UBN7 8/20 0.57
HDAC1 Q13547 8/20 0.57
FLT3 P36888 4/20 0.53
HDAC4 P56524 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HSD17B13 Q7Z5P4 1/20 0.48
IDO1 P14902 1/20 0.45
CNR1 P21554 1/20 0.44
CDK9 P50750 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
SCHEMBL1608534 0.86 HDAC6 (0.60) PPARGHDAC6HDAC1FLT3HDAC2
SCHEMBL1608184 0.86 CYP11B1 (0.59) PPARGHDAC6HDAC1FLT3HDAC4
SCHEMBL1607589 0.83 HDAC1 (0.73) PPARGHDAC6HDAC1FLT3HDAC4
SCHEMBL1608122 0.83 HDAC6 (0.46) PPARGHDAC6HDAC1FLT3HDAC4
SCHEMBL15399884 0.82 HDAC1 (0.55) PPARGHDAC6HDAC1FLT3HDAC8
SCHEMBL1608371 0.81 HDAC6 (0.66) HDAC6HDAC1FLT3HDAC4HDAC2
SCHEMBL3407819 0.81 HDAC6 (0.51) PPARGHDAC6HDAC1FLT3HDAC4
SCHEMBL3415680 0.81 CNR1 (0.61) PPARGHDAC6HDAC1FLT3HSD17B13
SCHEMBL1608256 0.80 HDAC6 (0.47) HDAC6HDAC1HDAC4HDAC2HDAC11
SCHEMBL1608175 0.80 HDAC6 (0.58) PPARGHDAC6HDAC1HDAC4HDAC2

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.