SCHEMBL1609239

SCHEMBL1609239

O=C(NO)c1ccc2ncn(Cc3cccs3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.54
HDAC1 Q13547 10/20 0.54
FLT3 P36888 1/20 0.53
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HDAC8 Q9BY41 3/20 0.45
CDK9 P50750 1/20 0.44
CYP1A2 P05177 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
IDO1 P14902 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1608511 0.83 HDAC1 (0.52) HDAC6HDAC1FLT3HDAC3HDAC2
SCHEMBL1607589 0.81 HDAC1 (0.73) HDAC6HDAC1FLT3HDAC3HDAC2
SCHEMBL1608689 0.80 HDAC6 (0.64) HDAC6HDAC1FLT3HDAC3HDAC2
SCHEMBL1608660 0.79 HDAC6 (0.57) HDAC6HDAC1FLT3HDAC3HDAC2
SCHEMBL16044012 0.79 FLT3 (0.47) HDAC1FLT3NPC1ALDH1A1LMNA
SCHEMBL1608210 0.79 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HPGD
SCHEMBL1608175 0.78 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1608399 0.77 HDAC6 (0.67) HDAC6HDAC1FLT3HDAC3HDAC2
SCHEMBL1608184 0.77 CYP11B1 (0.59) HDAC6HDAC1FLT3HDAC3HDAC2
SCHEMBL1608534 0.77 HDAC6 (0.60) HDAC6HDAC1FLT3HDAC3HDAC2

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 HDAC6 11/4885HDAC1 2/4885FLT3 4070/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC1 2/4885FLT3 4100/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC1 2/4885FLT3 4070/4885

“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.