SCHEMBL2398660

SCHEMBL2398660

NCCOB(c1ccccc1Oc1ccccc1B(OCCN)c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.51
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
TRPM2 O94759 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NR2E1 Q9Y466 2/20 0.36
KCNA3 P22001 1/20 0.36
HTR1D P28221 1/20 0.35
CA12 O43570 1/20 0.34
CA3 P07451 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
SCHEMBL2398202 0.82 HTR1B (0.55) HTR1BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL13383570 0.77 ALDH1A1 (0.49) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL12266368 0.77 ALDH1A1 (0.49) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL14503494 0.77 ALDH1A1 (0.49) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL7790705 0.75 HTR1B (0.49) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL2398291 0.74 SMN1; SMN2 (0.39) KDM4ETDP1MEN1ALDH1A1HPGD
SCHEMBL12266266 0.73 TSHR (0.44) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL5368666 0.72 HTR1B (0.62) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL12266230 0.72 ALDH1A1 (0.62) HTR1BKDM4ETDP1MEN1TRPM2
SCHEMBL14503507 0.72 KDM4E (0.62) KDM4ETDP1MEN1TRPM2ALDH1A1

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 HTR1B 2817/4885KDM4E 1022/4885TDP1 1492/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 HTR1B 1648/4885KDM4E 3037/4885TDP1 4837/4885

“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.