SCHEMBL1609002

SCHEMBL1609002

O=C(NO)c1cc2c(ccn2Cc2ccccc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.46
KDR P35968 6/20 0.46
HDAC6 Q9UBN7 8/20 0.44
HDAC1 Q13547 7/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC3 O15379 3/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
HDAC2 Q92769 4/20 0.41
HDAC9 Q9UKV0 3/20 0.41
PPARG P37231 2/20 0.41
TP53 P04637 1/20 0.40
HDAC4 P56524 4/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC7 Q8WUI4 2/20 0.39
STAT6 P42226 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL1609128 0.86 FLT1 (0.44) FLT1KDRHDAC6HDAC1HDAC8
SCHEMBL1608086 0.86 HDAC6 (0.46) FLT1KDRHDAC6HDAC1HDAC8
SCHEMBL1607598 0.83 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL1608625 0.82 FLT1 (0.43) FLT1KDRHDAC6HDAC1HDAC8
SCHEMBL1607636 0.81 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL1608538 0.81 HDAC6 (0.43) FLT1KDRHDAC6HDAC1HDAC8
SCHEMBL1609287 0.81 MAOB (0.56) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL1607548 0.81 HDAC1 (0.46) FLT1KDRHDAC6HDAC1HDAC8
SCHEMBL1609118 0.80 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL1608354 0.79 HDAC6 (0.43) FLT1KDRHDAC6HDAC1HDAC8

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 7 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
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 WO 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 FLT1 4834/4885KDR 4843/4885HDAC6 11/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 FLT1 4827/4885KDR 4861/4885HDAC6 11/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 FLT1 4834/4885KDR 4843/4885HDAC6 11/4885

“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.