SCHEMBL1608488

SCHEMBL1608488

O=C(NO)c1ccc2ncn(Cc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.58
HDAC1 Q13547 8/20 0.58
HSD17B13 Q7Z5P4 2/20 0.51
HDAC8 Q9BY41 5/20 0.48
HDAC3 O15379 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
NCOR2 Q9Y618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.46
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL1608430 0.86 HDAC6 (0.65) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1608371 0.84 HDAC6 (0.66) HDAC6HDAC1HSD17B13HDAC8HDAC3
SCHEMBL1608703 0.84 HDAC6 (0.50) HDAC6HDAC1HSD17B13HDAC8HDAC3
SCHEMBL1608399 0.83 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1608001 0.82 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1607589 0.82 HDAC1 (0.73) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1608689 0.81 HDAC6 (0.64) HDAC6HDAC1HSD17B13HDAC8HDAC3
SCHEMBL1608346 0.81 HDAC6 (0.74) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1608124 0.80 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL1608381 0.78 HDAC6 (0.61) HDAC6HDAC1HSD17B13HDAC8HDAC3

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 2/4885HSD17B13 1731/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC1 2/4885HSD17B13 2051/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC1 2/4885HSD17B13 1731/4885

“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.