SCHEMBL2362585

SCHEMBL2362585

COC(=O)CN(CCN(CC(=O)OC)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.35
CYP1A2 P05177 3/20 0.35
PARP1 P09874 1/20 0.34
BRD4 O60885 1/20 0.33
NR1D1 P20393 1/20 0.32
CASR P41180 1/20 0.32
AKT1 P31749 1/20 0.32
ADORA2A P29274 1/20 0.32
GRM5 P41594 1/20 0.32
HPGDS O60760 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL15865620 0.96 MRGPRX4 (0.33) MRGPRX4CYP1A2PARP1BRD4NR1D1
SCHEMBL15865629 0.89 MRGPRX4 (0.39) MRGPRX4CYP1A2PARP1NR1D1CASR
SCHEMBL15865618 0.88 CYP1A2 (0.36) MRGPRX4CYP1A2BRD4AKT1HPGDS
SCHEMBL15865612 0.88 CYP1A2 (0.36) MRGPRX4CYP1A2PARP1BRD4AKT1
SCHEMBL23567539 0.86 NR1D1 (0.40) MRGPRX4CYP1A2BRD4NR1D1CASR
SCHEMBL26027560 0.81 MRGPRX4 (0.34) MRGPRX4CYP1A2PARP1NR1D1CASR
SCHEMBL24722606 0.81 MRGPRX4 (0.37) MRGPRX4CYP1A2PARP1NR1D1CASR
SCHEMBL24588392 0.79 MRGPRX4 (0.32) MRGPRX4PARP1BRD4ADORA2AALDH1A1
SCHEMBL30801055 0.78 MRGPRX4 (0.37) MRGPRX4CYP1A2BRD4HPGDSALDH1A1
SCHEMBL27119074 0.78 MRGPRX4 (0.37) MRGPRX4CYP1A2BRD4HPGDSALDH1A1

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
EP-3318555-B1 BIFUNCTIONAL CHELATING AGENTS BWXT MEDICAL LTD (CA) 2023-08-16 EP disclosed
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
EP-2536691-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2012-12-26 EP disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 US disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 MRGPRX4 983/4885CYP1A2 2997/4885PARP1 263/4885

“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.