Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608511

SCHEMBL1608511

SCHEMBL1608511

O=C(NO)c1cnc2ccn(Cc3cccs3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ GRIN2B Q13224 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ MAPT P10636 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL1609239 0.83 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC2ALDH1A1
SCHEMBL1608137 0.81 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC2GRIN2B
SCHEMBL1608479 0.80 GRIN2B (0.49) HDAC1HDAC6HDAC3HDAC2GRIN2B
SCHEMBL1608210 0.80 HDAC6 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1608947 0.80 HDAC6 (0.43) HDAC1HDAC6HDAC3HDAC2GRIN2B
SCHEMBL1608563 0.78 HDAC6 (0.51) HDAC1HDAC6HDAC3HDAC2GRIN2B
SCHEMBL1608569 0.78 HDAC6 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1607635 0.77 CYP11B1 (0.45) HDAC1HDAC6HDAC3HDAC2GRIN2B
SCHEMBL1608342 0.77 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2GRIN2B
SCHEMBL1608382 0.77 HDAC6 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8

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 HDAC1 2/4885HDAC6 11/4885HDAC3 9/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC1 2/4885HDAC6 11/4885HDAC3 9/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC1 2/4885HDAC6 11/4885HDAC3 9/4885

“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.