Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608562

SCHEMBL1608562

SCHEMBL1608562

O=C(NO)c1ccc2ncn(CCc3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.57
▸ HDAC1 Q13547 10/20 0.56
▸ HDAC6 Q9UBN7 8/20 0.56
▸ KMT2A Q03164 2/20 0.52
▸ HDAC8 Q9BY41 5/20 0.49
▸ CNOT7 Q9UIV1 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ APP P05067 1/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ PRSS1 P07477 1/20 0.47

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
SCHEMBL1607500 0.93 HDAC1 (0.58) HTTHDAC1HDAC6KMT2AHDAC8
SCHEMBL1608542 0.89 HDAC1 (0.49) HTTHDAC1HDAC6KMT2AHDAC8
SCHEMBL1607589 0.88 HDAC1 (0.73) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL1608512 0.82 HDAC6 (0.49) HTTHDAC1HDAC6HDAC8CNOT7
SCHEMBL5792956 0.79 IDO1 (0.53) HTTHDAC1HDAC6KMT2ACNOT7
SCHEMBL1609007 0.78 HDAC6 (0.48) HTTHDAC1HDAC6HDAC8PKM
SCHEMBL2611374 0.78 HDAC1 (0.51) HDAC1HDAC6HDAC8CNOT7HDAC2
SCHEMBL25998809 0.78 SMPD1 (0.48) HDAC1HDAC6
SCHEMBL1608338 0.78 CYP11B1 (0.60) HDAC1HDAC6HDAC8HDAC2HDAC11
SCHEMBL1607561 0.78 HDAC1 (0.62) HDAC1HDAC6HDAC2HDAC3

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 HTT 341/4885HDAC1 2/4885HDAC6 11/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HTT 290/4885HDAC1 2/4885HDAC6 11/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HTT 341/4885HDAC1 2/4885HDAC6 11/4885

“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.