SCHEMBL2397063

SCHEMBL2397063

Cc1ccc(B(OCC2CCCCN2)C(OC(B(OCC2CCCCN2)c2ccc(C)c(Cl)c2)c2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 3/20 0.37
POLB P06746 1/20 0.35
SSTR2 P30874 1/20 0.35
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34

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 0.84 LTA4H (0.46) LTA4HPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL12271070 0.80 LTA4H (0.45) LTA4H
SCHEMBL12319283 0.76 LTA4H (0.42) LTA4HSSTR2
SCHEMBL2398467 0.74 ALDH1A1 (0.37) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL12266333 0.73 LTA4H (0.43) LTA4H
SCHEMBL2399110 0.73 KMT2A (0.43) LTA4HPOLBCACNA2D1CACNA1BCACNB1
SCHEMBL2397906 0.73 DRD3 (0.37) SLC6A2SLC6A3SLC6A4POLB
SCHEMBL2400484 0.73 CHRM1 (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL17698489 0.72 SLC6A3 (0.37) SLC6A2SLC6A3SLC6A4
SCHEMBL12270487 0.71 SSTR2 (0.43) SSTR2

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 LTA4H 4297/4885SLC6A2 4633/4885SLC6A3 4461/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LTA4H 4660/4885SLC6A2 993/4885SLC6A3 1187/4885

“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.