SCHEMBL1609392

SCHEMBL1609392

O=C(/C=C/c1ccc[nH]1)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ HDAC2 Q92769 9/20 0.55
▸ HDAC8 Q9BY41 9/20 0.55
▸ HDAC6 Q9UBN7 9/20 0.55
▸ HDAC1 Q13547 9/20 0.55
▸ HDAC3 O15379 8/20 0.55
▸ HDAC4 P56524 5/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HDAC10 Q969S8 5/20 0.53
▸ HDAC11 Q96DB2 5/20 0.53
▸ HDAC5 Q9UQL6 5/20 0.53
▸ HDAC7 Q8WUI4 4/20 0.53
▸ HDAC9 Q9UKV0 4/20 0.53
▸ NPC1 O15118 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ ADAM17 P78536 1/20 0.43

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
SCHEMBL1609393 1.00 MAPT (0.59) MAPTRAB9AHDAC2HDAC8HDAC6
SCHEMBL10384632 0.82 MAPT (0.65) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL1079166 0.80 MAPT (0.68) MAPTRAB9AHDAC2HDAC8HDAC6
SCHEMBL1079165 0.80 MAPT (0.68) MAPTRAB9AHDAC2HDAC8HDAC6
SCHEMBL29951439 0.80 MAPT (0.68) MAPTRAB9AHDAC2HDAC8HDAC6
SCHEMBL2491340 0.78 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL3462948 0.78 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL30478655 0.78 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL6383873 0.78 MAPT (0.56) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL6383870 0.78 MAPT (0.56) MAPTRAB9AMAPK1SMN1; SMN2NPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 — — EP disclosed
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 MAPT 1413/4885RAB9A 2697/4885HDAC2 7/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 MAPT 1549/4885RAB9A 3260/4885HDAC2 4/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 MAPT 1413/4885RAB9A 2697/4885HDAC2 7/4885

“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.

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