SCHEMBL3458183

SCHEMBL3458183

CCC(=O)NO.CCC(=O)NO.CCC(=O)NO.CCC(=O)NO.NCC(O)CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.44
LMNA P02545 1/20 0.44
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CYP2C9 P11712 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DNM1 Q05193 1/20 0.32
HDAC5 Q9UQL6 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 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
SCHEMBL3459156 0.82 HDAC8 (0.41) GABRR1HDAC8HDAC6HDAC3HDAC1
SCHEMBL213654 0.80
SCHEMBL9051936 0.77
Hydrochloric Acid SCHEMBL11564395 0.77
SCHEMBL28137648 0.72
SCHEMBL3457631 0.71 HDAC3 (0.44) HDAC8HDAC6HDAC3HDAC1HDAC2
Propane SCHEMBL11669914 0.71
Formic Acid SCHEMBL31492467 0.70
SCHEMBL28668791 0.70
Acetic Acid SCHEMBL180921 0.69 GABRR1 (0.57) GABRR1LMNACYP2C9GABBR2GABBR1

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-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 GABRR1 2816/4885LMNA 4237/4885HDAC8 525/4885
US-20040086460-A1 Novel bifunctional chelating compounds containing hydroxamic acid residues EPRS1, HAMP, PHPT1 GABRR1 2816/4885LMNA 4237/4885HDAC8 525/4885

“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.