SCHEMBL2407448

SCHEMBL2407448

c1ccc(CNCCOB(c2ccccc2)c2ccccc2Oc2ccccc2B(OCCNCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.47
DRD2 P14416 5/20 0.47
DRD3 P35462 5/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAOA P21397 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
PPARG P37231 1/20 0.40
HTR6 P50406 2/20 0.39
CHRM2 P08172 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2399067 0.83 KDM4E (0.49) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL2397624 0.81 HTR1B (0.41) MEN1KMT2ATDP1KDM4EHTR6
SCHEMBL12270756 0.81 PPARG (0.44) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL13383648 0.76 DRD4 (0.46) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL12266403 0.76 DRD4 (0.46) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL12270753 0.74 DRD4 (0.44) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL2401500 0.74 KDM4E (0.46) MEN1KMT2ATDP1KDM4E
SCHEMBL2397641 0.72 LYPLA1 (0.57) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL2407948 0.72 DRD4 (0.49) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL11701339 0.70 DRD4 (0.77) DRD4DRD2DRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 DRD4 4304/4885DRD2 3904/4885DRD3 3364/4885

“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.