SCHEMBL4814264

SCHEMBL4814264

O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
SMN1; SMN2 Q16637 4/20 0.73
NPC1 O15118 4/20 0.73
RAB9A P51151 4/20 0.73
CYP2C19 P33261 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.58
GRIN2B Q13224 3/20 0.57
HTT P42858 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.55
P2RX4 Q99571 1/20 0.54
HTR2C P28335 1/20 0.54

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
SCHEMBL7393652 1.00 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 1.00 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 1.00 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.98 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.98 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3795583 0.95 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.95 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7658562 0.93 L3MBTL1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7655432 0.93 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611992 0.93 KMT2A (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 124/4885KMT2A 1640/4885NPSR1 3317/4885
US-20030129579-A1 Formed from 1,4,7,10 tetraazacyclododecane having varying chelating ions, phosphoester chains, and light harvesting moieties. PCNA, CLTC, PHOSPHO1 MEN1 181/4885KMT2A 2159/4885NPSR1 3583/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB MEN1 124/4885KMT2A 1640/4885NPSR1 3317/4885

“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.