SCHEMBL2399110

SCHEMBL2399110

c1ccc(B(OCCC2CCCCN2)C(OC(B(OCCC2CCCCN2)c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNB1 Q02641 1/20 0.42
LTA4H P09960 7/20 0.39
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 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
SCHEMBL2406262 0.88 LTA4H (0.46) KMT2APOLBCACNA2D1CACNA1BCACNB1
SCHEMBL2397063 0.73 LTA4H (0.38) POLBCACNA2D1CACNA1BCACNB1LTA4H
SCHEMBL2398256 0.71 CYP3A4 (0.47) LTA4HHTR1AHRH1KCNH2CYP1A2
SCHEMBL2407513 0.70 CYP1A2 (0.53) KMT2ALTA4HHTR2AHRH1CYP1A2
SCHEMBL11629768 0.70 POLB (0.56) KMT2APOLBCACNA2D1CACNA1BCACNB1
SCHEMBL4965391 0.69 LTA4H (0.64) KMT2APOLBLTA4HHTR2A
SCHEMBL5082818 0.68 CHRNA7 (0.49) KMT2APOLBCACNA2D1CACNA1BCACNB1
SCHEMBL5082824 0.68 SLC6A2 (0.53) LTA4HHTR1AKCNH2CYP1A2CYP3A4
SCHEMBL2399715 0.67 HTR2A (0.49) LTA4HHTR1AHTR2AHRH1KCNH2
SCHEMBL2399043 0.67 CYP1A2 (0.34) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9

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 8 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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 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 (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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 KMT2A 2949/4885POLB 3347/4885CACNA2D1 675/4885

“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.