Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608559

SCHEMBL1608559

SCHEMBL1608559

O=C(NO)c1cc2c(ccn2Cc2cccc(Cl)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.46
▸ HDAC1 Q13547 7/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC3 O15379 5/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC10 Q969S8 3/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ PTGER4 P35408 2/20 0.41
▸ PTGDR Q13258 2/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL1607598 0.90 HDAC6 (0.53) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL3431726 0.89 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1609287 0.87 MAOB (0.56) HDAC6HDAC1HDAC2HDAC3JAK2
SCHEMBL1608516 0.87 HDAC8 (0.44) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608344 0.85 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1608162 0.84 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC3JAK2
SCHEMBL1608325 0.84 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1607822 0.83 HDAC2 (0.47) HDAC6HDAC1HDAC2HDAC3HDAC8
SCHEMBL1607519 0.83 ADRA1D (0.40) HDAC6HDAC1HDAC2HDAC3JAK2
SCHEMBL1608514 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC8

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.