SCHEMBL3457631

SCHEMBL3457631

CCC(=O)NO.CCC(=O)NO.CCC(=O)NO.CCC(=O)NO.CCC(N)(N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HSP90AA1 P07900 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HDAC5 Q9UQL6 1/20 0.35
KDM4E B2RXH2 2/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
FOLH1 Q04609 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
TPI1 P60174 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL213654 0.84
SCHEMBL9051936 0.81
Hydrochloric Acid SCHEMBL11564395 0.81
SCHEMBL28137648 0.76
Formic Acid SCHEMBL31492467 0.74
Bicarbonate SCHEMBL20639290 0.72 MEN1 (0.44) HDAC3HDAC1HDAC2HDAC8MEN1
SCHEMBL3459156 0.71 HDAC8 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3458183 0.71 GABRR1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11545274 0.70 MEN1 (0.42) MEN1KMT2AKDM4ECYP2C9SMN1; SMN2
Acetic Acid SCHEMBL28664506 0.69 FFAR3 (0.47) HDAC3HDAC1HDAC2HDAC8MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266954-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
EP-2266953-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues Draximage, Inc. (CA) 2010-12-29 EP disclosed
US-7238339-B2 Bifunctional chelating compounds containing hydroxamic acid residues DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) 2007-07-03 US disclosed
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2004-05-06 US disclosed
EP-1351926-A2 NOVEL BIFUNCTIONAL CHELATING COMPOUNDS CONTAINING HYDROXAMIC ACID RESIDUES Draximage, Inc. (CA) 2003-10-15 EP disclosed
US-6623721-B2 Conjugates can be complexed to a radioisotope metallic element and used for diagnosing or treating receptor-positive tumors DRAXIMAGE, INC. (CA) 2003-09-23 US disclosed
WO-2002068379-A2 NOVEL BIFUNCTIONAL CHELATING COMPOUNDS CONTAINING HYDROXAMIC ACID RESIDUES DRAXIMAGE, INC. (CA) 2002-09-06 WO disclosed
US-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues JUBILANT DRAXIMAGE INC. (CA) 2002-06-20 US 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 (2 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-20020076377-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 HDAC3 878/4885HDAC1 257/4885HDAC2 1133/4885
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 HDAC3 878/4885HDAC1 257/4885HDAC2 1133/4885

“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.