Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609339

SCHEMBL1609339

SCHEMBL1609339

O=C(NO)c1ccc2ccn(Cc3cccc(Cl)c3Cl)c2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.39
▸ DBH P09172 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ PIK3CD O00329 5/20 0.37
▸ PIK3CB P42338 5/20 0.37
▸ PIK3CG P48736 4/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ PTGER3 P43115 1/20 0.35

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
SCHEMBL1608831 0.91 NPC1 (0.48) HDAC6JAK2NPC1RAB9AHDAC8
SCHEMBL1608444 0.81 HDAC6 (0.42) HDAC6DBHJAK2NPC1RAB9A
SCHEMBL1609218 0.81 HDAC6 (0.46) HDAC6JAK2HDAC8HDAC1HDAC4
SCHEMBL1608297 0.81 HDAC8 (0.43) HDAC6NPC1RAB9AHDAC8HDAC1
SCHEMBL1607602 0.80 HDAC6 (0.50) HDAC6JAK2HDAC8HDAC1HDAC4
SCHEMBL1608558 0.80 HDAC6 (0.45) HDAC6HDAC8HDAC1HDAC4P2RX7
SCHEMBL1607627 0.79 HDAC6 (0.51) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL1608635 0.79 HDAC6 (0.47) HDAC6JAK2HDAC8HDAC1HDAC4
SCHEMBL1608625 0.79 FLT1 (0.43) HDAC6DBHJAK2HDAC8HDAC1
SCHEMBL1684158 0.79 HDAC6 (0.41) HDAC6DBHHDAC8HDAC1HDAC4

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 11/4885DBH 1877/4885JAK2 3377/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885DBH 1245/4885JAK2 3882/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885DBH 1877/4885JAK2 3377/4885

“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.