SCHEMBL4131217

SCHEMBL4131217

O=C(CCCCCN(CC(=O)N1CCc2ccccc2C1)CC(=O)N1CCc2ccccc2C1)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.59
HDAC3 O15379 5/20 0.59
HDAC8 Q9BY41 4/20 0.59
NCOR2 Q9Y618 4/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NLRP3 Q96P20 1/20 0.51
HDAC6 Q9UBN7 3/20 0.50
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL13965318 1.00 HDAC1 (0.59) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL12395353 0.88 HDAC1 (0.71) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL4130240 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL5456195 0.76 KDM4E (0.60) HDAC1HDAC3HDAC10HDAC11KDM4E
SCHEMBL4115137 0.75 HDAC1 (0.44) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL4123769 0.75 HDAC1 (0.58) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL5789831 0.74 HDAC3 (1.00) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL5787836 0.74 HDAC3 (1.00) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL5791393 0.74 HDAC3 (1.00) HDAC1HDAC3HDAC8NCOR2HDAC2
SCHEMBL6580790 0.73 HDAC3 (0.71) HDAC1HDAC3HDAC10HDAC11KDM4E

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
EP-1694329-A4 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATES ATON PHARMA INC (US) 2009-06-03 EP disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
US-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives ATON PHARMA, INC. (US) 2009-01-22 US disclosed
EP-1694329-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATES Aton Pharma, Inc. (US) 2006-08-30 EP disclosed
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 WO disclosed
WO-2005053610-A2 DIAMINE AND IMINODIACETIC ACID HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-06-16 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-20090023718-A1 Diamine and Iminodiacetic Acid Hydroxamic Acid Derivatives AADAC, BRDT, HDAC5 HDAC1 5/4885HDAC3 15/4885HDAC8 36/4885

“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.