SCHEMBL2399759

SCHEMBL2399759

c1ccc(CNCCOB(c2ccccc2)C(OC(B(OCCNCc2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
MAOA P21397 1/20 0.40
PPARG P37231 1/20 0.40
CHRM2 P08172 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
SCN8A Q9UQD0 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2398937 0.83 KDM4E (0.38) DRD4MEN1KMT2ATDP1DRD2
SCHEMBL2398439 0.81 HTR2A (0.42) MEN1KMT2ADRD3SIGMAR1KDM4E
SCHEMBL2399694 0.81 KDM4E (0.41) DRD4KMT2ADRD2DRD3MAPT
SCHEMBL2400611 0.80 MAPT (0.38) MEN1KMT2ATDP1MAPTADRA1D
SCHEMBL2407513 0.76 CYP1A2 (0.53) MEN1KMT2ATDP1KDM4E
SCHEMBL2398440 0.75 SLC6A4 (0.39) DRD4MEN1KMT2ADRD2DRD3
SCHEMBL2399715 0.72 HTR2A (0.49) DRD3CHRM2ADRA1AKDM4E
SCHEMBL2399043 0.72 CYP1A2 (0.34) MEN1KMT2ATDP1KDM4E
SCHEMBL2399105 0.71 SIGMAR1 (0.32) DRD4MEN1KMT2ATDP1DRD2
SCHEMBL2397486 0.70 EPHX1 (0.44) MAOASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 DRD4 4304/4885MEN1 3255/4885KMT2A 1067/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 DRD4 555/4885MEN1 1473/4885KMT2A 2949/4885

“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.