SCHEMBL329921

SCHEMBL329921

N=C(N)NC1=CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM1A O60341 1/20 0.31

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
SCHEMBL3459504 0.85 HDAC4 (0.31) HDAC4HDAC2HDAC8HDAC6
SCHEMBL16619760 0.79 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL6833727 0.79 ALDH1A1 (0.34) HDAC4HDAC2HDAC8HDAC6KDM1A
SCHEMBL5932189 0.72 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6
SCHEMBL5932198 0.72 HDAC2 (0.44) HDAC4HDAC2HDAC8HDAC6
SCHEMBL11812421 0.72 CTSK (0.34) HDAC4HDAC2HDAC8HDAC6
SCHEMBL25095364 0.71 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6
SCHEMBL5932677 0.71 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6
SCHEMBL6559546 0.71 HDAC4 (0.42) HDAC4HDAC2HDAC8HDAC6
SCHEMBL5932684 0.71 HDAC2 (0.42) HDAC4HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 EP disclosed
EP-2390262-A1 Synthetic chemokine receptor ligands and methods of use thereof Intermune, Inc. (US) 2011-11-30 EP disclosed
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 US disclosed
US-20100099851-A1 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME ALIOS BIOPHARMA, INC. (US) 2010-04-22 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-7597884-B2 Hyperglycosylated polypeptide variants and methods of use ALIOS BIOPHARMA, INC. (US) 2009-10-06 US disclosed
US-20090226400-A1 CONTINUOUS DELIVERY METHODS FOR TREATING HEPATITIS VIRUS INFECTION THREE RIVERS PHARMACEUTICALS, LLC (US) 2009-09-10 US disclosed
EP-2093235-A1 Hyperglycosylated variants of interferon alfacon-1 Alios Biopharma Inc. (US) 2009-08-26 EP disclosed
EP-1789074-A4 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME ALIOS BIOPHARMA INC (US) 2009-08-12 EP disclosed
WO-2005000227-A2 METHODS OF TREATING TNF-MEDIATED DISORDERS INTERMUNE, INC. (US) 2005-01-06 WO disclosed
WO-2004110245-A2 COMBINATION THERAPY FOR CANCER TREATMENT INTERMUNE, INC. (US) 2004-12-23 WO disclosed
WO-2004105684-A2 COMBINATION THERAPY FOR PROLIFERATIVE DISORDERS INTERMUNE, INC. (US) 2004-12-09 WO disclosed
WO-2004103296-A2 METHODS OF TREATING IDIOPATHIC PULMONARY FIBROSIS INTERMUNE, INC. (US) 2004-12-02 WO disclosed
WO-2004089283-A2 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS INTERMUNE, INC. (US) 2004-10-21 WO disclosed
WO-2004078193-A1 INTERFERON DRUG THERAPY FOR THE TREATMENT OF VIRAL DISEASES AND LIVER FIBROSIS INTERMUNE, INC. (US) 2004-09-16 WO disclosed
WO-2004078127-A2 CONTINUOUS DELIVERY METHODS FOR TREATING HEPATITIS VIRUS INFECTION INTERMUNE, INC. (US) 2004-09-16 WO disclosed
WO-2004078207-A1 INTERFERON DRUG THERAPY FOR THE TREATMENT OF VIRAL DISEASES AND LIVER FIBROSIS INTERMUNE, INC. (US) 2004-09-16 WO disclosed
WO-2004078194-A1 INTERFERON DRUG THERAPY FOR THE TREATMENT OF VIRAL DISEASES AND LIVER FIBROSIS INTERMUNE, INC. (US) 2004-09-16 WO disclosed
WO-2004019863-A2 COMBINATION THERAPY FOR TREATMENT OF FIBROTIC DISORDERS INTERMUNE, INC. (US) 2004-03-11 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 (4 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-20100099851-A1 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME IFNAR1, IDE, CTSC HDAC4 3485/4885HDAC2 4356/4885HDAC8 3338/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HDAC4 2107/4885HDAC2 1507/4885HDAC8 2090/4885
US-20110008289-A1 HYPERGLYCOSYLATED POLYPEPTIDE VARIANTS AND METHODS OF USE IFNAR1, EPOR, HBB HDAC4 4489/4885HDAC2 4845/4885HDAC8 4480/4885
US-20090226400-A1 CONTINUOUS DELIVERY METHODS FOR TREATING HEPATITIS VIRUS INFECTION IFNG, HAVCR2, IFNAR1 HDAC4 948/4885HDAC2 2293/4885HDAC8 2515/4885

“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.