SCHEMBL18312432

SCHEMBL18312432

c1cc2nc(c1)CNCCOCCOCCNC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.49
APEX1 P27695 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
HTR2C P28335 1/20 0.31

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
SCHEMBL14206482 0.98 CXCR4 (0.50) CXCR4APEX1MEN1KMT2AKDM4E
SCHEMBL17465542 0.91 APEX1 (0.43) CXCR4APEX1MEN1KMT2AKDM4E
SCHEMBL27349434 0.83 CXCR4 (0.53) CXCR4APEX1KDM4ELMNAHTR2C
SCHEMBL9207672 0.83 CXCR4 (0.58) CXCR4APEX1KDM4ELMNAHTR2C
SCHEMBL27349957 0.81 CXCR4 (0.51) CXCR4KDM4ELMNAHTR2C
SCHEMBL18911328 0.81 CXCR4 (0.44) CXCR4APEX1KDM4ESMN1; SMN2HTR2C
SCHEMBL8235408 0.81 CXCR4 (0.56) CXCR4APEX1KDM4ELMNAHTR2C
SCHEMBL1673295 0.81 CXCR4 (0.56) CXCR4APEX1KDM4ELMNAHTR2C
SCHEMBL29520740 0.81 CXCR4 (0.56) CXCR4APEX1KDM4ELMNAHTR2C
SCHEMBL27351084 0.80 CXCR4 (0.54) CXCR4APEX1KDM4ELMNAHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133654-A1 NEW CRYPTATE-TYPE (BICYCLIC) CHELATORS AND THEIR USE AS LIGANDS FOR MN(II)-BASED MRI CONTRAST AGENTS, 52MN-BASED PET DIAGNOSTIC AGENTS, AND 64/67CU(II)-ISOTOPE-BASED PET DIAGNOSTIC AND THERAPEUTIC AGENTS DEBRECENI EGYETEM (HU) 2025-06-26 WO disclosed
US-10377783-B2 Methods and compounds for enhancing contrast in magnetic resonance imaging (MRI) BROCK UNIVERSITY (CA) 2019-08-13 US disclosed
US-20160362434-A1 METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI) BROCK UNIVERSITY (CA) 2016-12-15 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-10377783-B2 Methods and compounds for enhancing contrast in magnetic resonance imaging (MRI) PPIP5K2, FABP7, MPI CXCR4 2022/4885APEX1 3634/4885MEN1 27/4885
US-20160362434-A1 METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI) PPIP5K2, FABP7, MPI CXCR4 2022/4885APEX1 3634/4885MEN1 27/4885

“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.