SCHEMBL4810364

SCHEMBL4810364

CCOC(=O)C(N)(CCNS(=O)(=O)c1ccc(C)cc1)CCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL4810363 0.80 CA9 (0.42) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL28059679 0.74 KMT2A (0.48) ALDH1A1KMT2AGAAMEN1LMNA
SCHEMBL17203236 0.74 ALDH1A1 (0.60) ALDH1A1KMT2AGAAHTTMEN1
SCHEMBL17052469 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AGAAHTTMEN1
SCHEMBL12169316 0.74 ALDH1A1 (0.64) ALDH1A1KMT2AGAAHTTMEN1
SCHEMBL257480 0.73 ALDH1A1 (0.67) ALDH1A1KMT2AGAALMNAHPGD
SCHEMBL5567042 0.73 ALDH1A1 (0.75) ALDH1A1KMT2AGAAHTTMEN1
SCHEMBL4581481 0.72 ALDH1A1 (0.53) ALDH1A1KMT2AGAAHTTMEN1
SCHEMBL18358982 0.72 ALDH1A1 (0.60) ALDH1A1KMT2AGAAHTTMEN1
SCHEMBL29164171 0.72 ALDH1A1 (0.56) ALDH1A1KMT2AGAAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323621-B2 site-directed delivery of contrast agent; brain or breast cancer; 1,4,7,10 tetraazacyclododecane having variable chelating ions, phosphoester chains, and light harvesting moieties for changing imaging methods; conjugated to high affinity PBR ligand PK11195; bound to a PVA or a PEG delivery vehicle VANDERBILT UNIVERSITY (US) 2012-12-04 US disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 US disclosed
EP-1429783-A4 MULTI-USE MULTIMODAL IMAGING CHELATES UNIV TEXAS TECH (US) 2006-08-09 EP disclosed
EP-1429783-A2 MULTI-USE MULTIMODAL IMAGING CHELATES TEXAS TECH UNIVERSITY (US) 2004-06-23 EP disclosed
WO-2003020701-A9 MULTI-USE MULTIMODAL IMAGING CHELATES UNIV TEXAS TECH (US) 2003-09-12 WO disclosed
US-20030129579-A1 Formed from 1,4,7,10 tetraazacyclododecane having varying chelating ions, phosphoester chains, and light harvesting moieties. VANDERBILT UNIVERSITY 2003-07-10 US disclosed
WO-2003020701-A2 MULTI-USE MULTIMODAL IMAGING CHELATES TEXAS TECH UNIVERSITY (US) 2003-03-13 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 (3 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-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB ALDH1A1 3987/4885KMT2A 1640/4885GAA 2112/4885
US-20030129579-A1 Formed from 1,4,7,10 tetraazacyclododecane having varying chelating ions, phosphoester chains, and light harvesting moieties. PCNA, CLTC, PHOSPHO1 ALDH1A1 3803/4885KMT2A 2159/4885GAA 2613/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB ALDH1A1 3987/4885KMT2A 1640/4885GAA 2112/4885

“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.