Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609258

SCHEMBL1609258

SCHEMBL1609258

O=C(NO)c1cc2c(ccn2CCOc2ccc(F)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.43
▸ HDAC6 Q9UBN7 8/20 0.42
▸ FFAR1 O14842 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC3 O15379 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ NCOR2 Q9Y618 3/20 0.39
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ EGFR P00533 1/20 0.37

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
SCHEMBL1608787 0.92 MCL1 (0.43) MCL1HDAC6FFAR1PPARGHDAC1
SCHEMBL1608699 0.91 MCL1 (0.41) MCL1HDAC6FFAR1PPARGHDAC1
SCHEMBL1609016 0.84 HDAC6 (0.40) MCL1HDAC6FFAR1PPARGHDAC1
SCHEMBL1608826 0.84 HDAC11 (0.54) MCL1HDAC6FFAR1PPARGHDAC1
SCHEMBL1608334 0.83 ATF4 (0.42) MCL1HDAC6FFAR1PPARGHDAC1
SCHEMBL1608755 0.82 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1609272 0.82 MCL1 (0.47) MCL1HDAC6HDAC1HDAC3HDAC2
SCHEMBL1608260 0.80 GRIN2B (0.46) HDAC6PPARGHDAC1HDAC3HDAC2
SCHEMBL1608513 0.80 HDAC6 (0.37) HDAC6PPARGHDAC1HDAC3HDAC2
SCHEMBL1608055 0.79 HDAC6 (0.43) MCL1HDAC6FFAR1PPARGHDAC1

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 7 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
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 — — EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 — — WO 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 MCL1 806/4885HDAC6 11/4885FFAR1 4107/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 MCL1 1807/4885HDAC6 11/4885FFAR1 4068/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 MCL1 806/4885HDAC6 11/4885FFAR1 4107/4885

“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.