Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608563

SCHEMBL1608563

SCHEMBL1608563

O=C(NO)c1cnc2ccn(Cc3ccccn3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.51
▸ HDAC1 Q13547 9/20 0.51
▸ HDAC2 Q92769 6/20 0.51
▸ HDAC3 O15379 3/20 0.51
▸ GRIN2B Q13224 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC10 Q969S8 4/20 0.46
▸ HDAC4 P56524 4/20 0.46
▸ HDAC9 Q9UKV0 3/20 0.46
▸ HDAC11 Q96DB2 3/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ PPARG P37231 1/20 0.42
▸ SLC2A1 P11166 1/20 0.39
▸ SLC22A12 Q96S37 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
SCHEMBL1608137 0.84 HDAC6 (0.54) HDAC6HDAC1HDAC2HDAC3GRIN2B
SCHEMBL1609247 0.82 HDAC6 (0.56) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608175 0.82 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608479 0.81 GRIN2B (0.49) HDAC6HDAC1HDAC2HDAC3GRIN2B
SCHEMBL1607635 0.81 CYP11B1 (0.45) HDAC6HDAC1HDAC2HDAC3GRIN2B
SCHEMBL1608342 0.81 HDAC1 (0.52) HDAC6HDAC1HDAC2HDAC3GRIN2B
SCHEMBL1608122 0.81 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3GRIN2B
SCHEMBL1608910 0.81 HDAC1 (0.55) HDAC6HDAC1HDAC2HDAC3GRIN2B
SCHEMBL1608569 0.79 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3CYP2C19
SCHEMBL1608511 0.78 HDAC1 (0.52) HDAC6HDAC1HDAC2HDAC3GRIN2B

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 2/4885HDAC2 7/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC1 2/4885HDAC2 4/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC1 2/4885HDAC2 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.