SCHEMBL4072926

SCHEMBL4072926

CCCCCNNC(=O)NNCCCCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.56
HDAC1 Q13547 9/20 0.50
HDAC3 O15379 8/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CASP2 P42575 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HDAC10 Q969S8 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL7113513 0.89 EPHX1 (0.68) EPHX1CASP2ALDH1A1
SCHEMBL31486286 0.88 EPHX1 (0.50) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL8242454 0.87 EPHX1 (0.72) EPHX1CASP2ALDH1A1
SCHEMBL4023052 0.87 EPHX1 (0.54) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL11015483 0.87 EPHX1 (0.54) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL10545742 0.83 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL1442907 0.83 HDAC3 (0.49) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL7705371 0.83 HDAC1 (0.49) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL11639864 0.81 EPHX1 (0.52) EPHX1HDAC1HDAC3HDAC2HDAC11
SCHEMBL11019740 0.81 EPHX1 (0.45) EPHX1HDAC1HDAC3HDAC2HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 EP disclosed
EP-1532134-B1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-06-04 EP disclosed
EP-1495009-B1 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-03-12 EP disclosed
US-20060020001-A1 Use of cathepsin k inhibitors for the treatment of glaucoma ALCON, INC. (CH) 2006-01-26 US disclosed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 US disclosed
EP-1532134-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-05-25 EP disclosed
US-6878706-B1 Cyanamides useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-04-12 US disclosed
EP-1495009-A2 CYANAMIDES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-12 EP disclosed
US-20040247527-A1 Multifunctional photodynamic agents for treating of disease MPA TECHNOLOGIES, INC. 2004-12-09 US disclosed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-1246824-A1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF Aventis Pharma S.A. (FR) 2002-10-09 EP disclosed
WO-2001047930-A1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-07-05 WO disclosed
EP-0403889-B1 Method for the preparation of 4-amino-1,2,4-triazol-5-ones BAYER AG (DE) 1994-02-02 EP disclosed
EP-0321833-B1 Process for the preparation of 4-amino-1,2,4-triazol-5-ones BAYER AG (DE) 1993-11-18 EP disclosed
US-5153326-A Preparation of 4-amino-1,2,4-triazol-5-ones BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-5034538-A Preparation of 4-amino-1,2,4-triazol-5-ones BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0403889-A1 Method for the preparation of 4-amino-1,2,4-triazol-5-ones BAYER AG (DE) 1990-12-27 EP disclosed
US-4952701-A Preparation of 4-amino-1,2,4-triazol-5-ones BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0321833-A2 Process for the preparation of 4-amino-1,2,4-triazol-5-ones BAYER AG (DE) 1989-06-28 EP 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS EPHX1 878/4885HDAC1 109/4885HDAC3 156/4885

“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.