SCHEMBL2397486

SCHEMBL2397486

NC(COB(c1ccccc1)C(OC(B(OCC(N)Cc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SCN4A P35499 3/20 0.41
ANPEP P15144 1/20 0.40
TACR1 P25103 3/20 0.40
MMP2 P08253 1/20 0.35
SLC6A2 P23975 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
LTA4H P09960 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
SCHEMBL2398620 0.82 SCN4A (0.46) SCN4ATACR1
SCHEMBL12270763 0.77 EPHX1 (0.55) EPHX1SCN4AANPEPTACR1MMP2
SCHEMBL2407513 0.74 CYP1A2 (0.53) TAAR1SLC6A4SLC6A3LTA4H
SCHEMBL2399043 0.71 CYP1A2 (0.34) SLC6A4SLC6A3
SCHEMBL2399759 0.70 DRD4 (0.45) MAOASIGMAR1
SCHEMBL12266460 0.70 TACR1 (0.50) EPHX1SCN4AANPEPTACR1MMP2
SCHEMBL12266457 0.69 SCN4A (0.44) EPHX1SCN4AANPEPTACR1SLC6A2
SCHEMBL2399715 0.68 HTR2A (0.49) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL2398439 0.68 HTR2A (0.42) SLC6A2TAAR1SLC6A4SLC6A3SIGMAR1
SCHEMBL2398986 0.68 SCN4A (0.47) EPHX1SCN4AANPEPTACR1MMP2

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 EPHX1 3816/4885SCN4A 2539/4885ANPEP 635/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 EPHX1 4646/4885SCN4A 240/4885ANPEP 4610/4885

“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.