SCHEMBL2400841

SCHEMBL2400841

NCCOB(c1ccccc1)c1ccc(CCOCc2ccccc2B(OCCN)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
TRPM2 O94759 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
LYPLA1 O75608 1/20 0.43
LYPLA2 O95372 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.33
MAOB P27338 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 2/20 0.30

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
SCHEMBL12266174 0.90 TSHR (0.58) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL12266247 0.90 HPGD (0.57) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL1554882 0.87 TDP1 (0.65) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL1555869 0.87 HPGD (0.64) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL12270958 0.82 HPGD (0.51) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL12266173 0.81 HPGD (0.54) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL30966487 0.80 HPGD (0.66) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL1554914 0.78 TSHR (0.73) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL5050393 0.77 HPGD (0.54) HPGDTDP1KDM4EMEN1TRPM2
SCHEMBL12270752 0.76 KDM4E (0.81) HPGDTDP1KDM4EMEN1TRPM2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US claimed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
US-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) THE GENERAL HOSPITAL CORPORATION (US) 2012-12-13 US 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
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 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 (3 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-20120316247-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) CHAT, ACHE, BCHE HPGD 154/4885TDP1 262/4885KDM4E 3753/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 HPGD 1700/4885TDP1 2498/4885KDM4E 4858/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 HPGD 4396/4885TDP1 4837/4885KDM4E 3037/4885

“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.