SCHEMBL18022787

SCHEMBL18022787

O=C(O)CN1CCN(CCN(CC(=O)O)Cc2ccc(C(=O)NCCCN3C(=O)c4ccccc4C3=O)cn2)CCN(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ DNMT1 P26358 1/20 0.41
▸ DNMT3L Q9UJW3 1/20 0.41
▸ DNMT3A Q9Y6K1 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CACNA1G O43497 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL16631768 0.86 EPHX2 (0.44) EPHX2SMN1; SMN2DRD3DRD2DRD4
SCHEMBL18022786 0.76 DNMT1 (0.46) EPHX2DNMT1DNMT3LDNMT3AMEN1
SCHEMBL18022785 0.76 DNMT1 (0.46) EPHX2DNMT1DNMT3LDNMT3AMEN1
SCHEMBL16631777 0.72 MAPT (0.46) KMT2ANPSR1SMN1; SMN2DRD2DRD4
SCHEMBL13278990 0.70 HTR1A (0.68) DRD3DRD2HTR1A
SCHEMBL13469516 0.70 HTR1A (0.68) DRD3DRD2HTR1A
SCHEMBL13469642 0.70 HTR1A (0.68) DRD3DRD2HTR1A
SCHEMBL16631776 0.68 EPHX2 (0.44) EPHX2SMN1; SMN2DRD3HTR1AHTR2A
SCHEMBL28431822 0.68 KDM4E (0.46) EPHX2SMN1; SMN2
SCHEMBL463093 0.68 ALDH1A1 (0.44) MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 — — 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 (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-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC EPHX2 2976/4885DNMT1 2122/4885DNMT3L 3832/4885

“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.

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