Sugi Predict

Sugi Predict / Compounds / SCHEMBL4183237

SCHEMBL4183237

SCHEMBL4183237

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 1.00
▸ HDAC3 O15379 16/20 1.00
▸ HDAC4 P56524 16/20 1.00
▸ HDAC7 Q8WUI4 16/20 1.00
▸ HDAC2 Q92769 16/20 1.00
▸ HDAC10 Q969S8 16/20 1.00
▸ HDAC11 Q96DB2 16/20 1.00
▸ HDAC8 Q9BY41 16/20 1.00
▸ HDAC6 Q9UBN7 16/20 1.00
▸ HDAC9 Q9UKV0 16/20 1.00
▸ HDAC5 Q9UQL6 16/20 1.00
▸ HSD11B1 P28845 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ABL1 P00519 1/20 0.51
▸ BCR P11274 1/20 0.51

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
SCHEMBL4285686 0.89 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4191540 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4812703 0.88 HDAC3 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4021113 0.87 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4024475 0.86 HDAC1 (0.83) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14164268 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4018579 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4288540 0.85 HDAC3 (0.94) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4293312 0.85 HDAC1 (0.82) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4022511 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 — — US claimed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 — — US claimed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 — — EP claimed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 — — US claimed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 — — US claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 — — WO claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 — — US claimed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 — — US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 — — US disclosed
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2009-08-13 — — US disclosed
WO-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 — — WO disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 — — EP disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 — — US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 — — US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 — — EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 — — US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 — — US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 — — WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 — — 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 (6 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-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HDAC1 362/4885HDAC3 617/4885HDAC4 693/4885
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC1 3460/4885HDAC3 3834/4885HDAC4 2788/4885

“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.