SCHEMBL2401142

SCHEMBL2401142

c1ccc(B(OCc2ccccn2)c2ccccc2Oc2ccccc2B(OCc2ccccn2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
SYK P43405 12/20 0.40
AURKB Q96GD4 3/20 0.40
INCENP Q9NQS7 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PARP10 Q53GL7 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
SCHEMBL2398291 0.81 SMN1; SMN2 (0.39) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL12270762 0.81 SMN1; SMN2 (0.38) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL12266351 0.77 SYK (0.50) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL1187407 0.76 RAB9A (0.45) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL2411928 0.75 LYPLA1 (0.52) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL12266314 0.74 TSHR (0.45) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL12314717 0.73 PTPRA (0.40) ABCB1HTR1ADRD2SYKAURKB
SCHEMBL12266348 0.73 ALDH1A1 (0.47) SYKSMN1; SMN2NPC1LMNARAB9A
SCHEMBL1186729 0.73 SMN1; SMN2 (0.49) SYKSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12266424 0.71 ABCB1 (0.40) ABCB1HTR1ADRD2SYKAURKB

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 9 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-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 ABCB1 2189/4885HTR1A 4206/4885DRD2 3904/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 ABCB1 3169/4885HTR1A 3467/4885DRD2 724/4885

“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.