SCHEMBL4123769

SCHEMBL4123769

O=C(CCCCCN(CC(=O)N1CCC(Cc2ccccc2)CC1)CC(=O)N1CCC(Cc2ccccc2)CC1)NO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.58
HDAC3 O15379 8/20 0.58
HDAC2 Q92769 8/20 0.58
HDAC8 Q9BY41 8/20 0.58
HDAC4 P56524 6/20 0.58
HDAC7 Q8WUI4 6/20 0.58
HDAC10 Q969S8 6/20 0.58
HDAC11 Q96DB2 6/20 0.58
HDAC6 Q9UBN7 6/20 0.58
HDAC9 Q9UKV0 6/20 0.58
HDAC5 Q9UQL6 6/20 0.58
NCOR2 Q9Y618 2/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
FAAH O00519 1/20 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
SCHEMBL4130240 0.80 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4115137 0.75 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4131217 0.75 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL13965318 0.75 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL4921109 0.74 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3997411 0.73 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2243090 0.72 ALDH1A1 (0.64) MEN1KMT2AALDH1A1LMNAFAAH
SCHEMBL13965309 0.72 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL6485095 0.72 ALDH1A1 (0.64) MEN1KMT2AALDH1A1LMNAFAAH
SCHEMBL4916851 0.72 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC8HDAC4

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 15/4885HDAC2 7/4885

“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.