Resminostat

Resminostat

SCHEMBL299943

CN(C)Cc1ccc(S(=O)(=O)n2ccc(C=CC(=O)NO)c2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Resminostat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.85
▸ HDAC6 Q9UBN7 13/20 0.85
▸ HDAC3 O15379 6/20 0.83
▸ HDAC8 Q9BY41 4/20 0.83
▸ HDAC2 Q92769 11/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HDAC4 P56524 5/20 0.44
▸ MEF2D Q14814 1/20 0.43
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRD7 Q9NPI1 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
Resminostat SCHEMBL299941 1.00 HDAC1 (0.85) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL299945 0.92 HDAC1 (0.85) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL299947 0.92 HDAC1 (0.85) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL299845 0.92 HDAC1 (0.96) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL299843 0.92 HDAC1 (0.96) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL295541 0.92 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL295540 0.92 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL1887878 0.91 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL1887874 0.91 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC8HDAC2
Resminostat SCHEMBL299781 0.90 HDAC1 (0.92) HDAC1HDAC6HDAC3HDAC8HDAC2

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-8232297-B2 Sulphonylpyrroles as inhibitors of HDACs novel sulphonylpyrroles 4SC AG (DE) 2012-07-31 — — US disclosed
EP-1928872-B1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC 4SC AG (DE) 2012-03-14 — — EP disclosed
US-20090263353-A1 Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles NYCOMED GMBH (DE) 2009-10-22 — — US disclosed
EP-1928872-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES Nycomed GmbH (DE) 2008-06-11 — — EP disclosed
WO-2007039404-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES NYCOMED GMBH (DE) 2007-04-12 — — 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 (1 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-20090263353-A1 Novel Sulphonylpyrroles as Inhibitors of Hdac S Novel Sulphonylpyrroles HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC6 8/4885HDAC3 2/4885

“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.

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