SCHEMBL2399694

SCHEMBL2399694

CCCCNCCOB(c1ccccc1)C(OC(B(OCCNCCCC)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
CALM1 P0DP23 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
KMT2A Q03164 1/20 0.35

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 0.86 KDM4E (0.38) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL2398439 0.82 HTR2A (0.42) KDM4EDRD3SIGMAR1KMT2A
SCHEMBL2399010 0.78 PCSK9 (0.41) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL2400611 0.78 MAPT (0.38) KDM4EALDH1A1MAPTKMT2A
SCHEMBL2398440 0.75 SLC6A4 (0.39) ALDH1A1DRD2DRD4DRD3KMT2A
SCHEMBL2399105 0.74 SIGMAR1 (0.32) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL2407513 0.74 CYP1A2 (0.53) KDM4EALDH1A1KMT2A
SCHEMBL2399715 0.73 HTR2A (0.49) KDM4ESMN1; SMN2DRD3HTTGRIN1
SCHEMBL2399043 0.71 CYP1A2 (0.34) KDM4EALDH1A1KMT2A
SCHEMBL12266395 0.70 LYPLA1 (0.44) KDM4EALDH1A1SMN1; SMN2DRD2DRD4

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 KDM4E 1022/4885ALDH1A1 4540/4885SMN1; SMN2 4119/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 KDM4E 3037/4885ALDH1A1 4802/4885SMN1; SMN2 2537/4885

“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.