SCHEMBL2398291

SCHEMBL2398291

c1ccc(COB(c2ccccc2Oc2ccccc2B(OCc2ccccn2)c2cccc3ccccc23)c2cccc3ccccc23)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
PRKDC P78527 2/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SYK P43405 6/20 0.36
KDM4E B2RXH2 3/20 0.36
AURKB Q96GD4 3/20 0.35
INCENP Q9NQS7 3/20 0.35
NISCH Q9Y2I1 1/20 0.35
TSHR P16473 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
SCHEMBL12270762 0.84 SMN1; SMN2 (0.38) SMN1; SMN2PRKDCMAPTALDH1A1KMT2A
SCHEMBL2401142 0.81 ABCB1 (0.43) SMN1; SMN2ALDH1A1ABCB1HTR1ADRD2
SCHEMBL13383583 0.81 SMN1; SMN2 (0.38) SMN1; SMN2PRKDCMAPTALDH1A1KMT2A
SCHEMBL12266370 0.80 SYK (0.42) SMN1; SMN2MAPTALDH1A1HPGDSYK
SCHEMBL2937858 0.74 NISCH (0.54) SMN1; SMN2MAPTALDH1A1KMT2AABCB1
SCHEMBL2398660 0.74 HTR1B (0.51) ALDH1A1KMT2AMEN1HPGDTDP1
SCHEMBL2398202 0.71 HTR1B (0.55) ALDH1A1KMT2ADRD2MEN1KDM4E
SCHEMBL2404677 0.67 KCNH2 (0.38) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL1187407 0.66 RAB9A (0.45) SMN1; SMN2MAPTALDH1A1ABCB1HTR1A
SCHEMBL2398444 0.65 ORAI1 (0.50) ALDH1A1KMT2AMEN1POLBHPGD

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 SMN1; SMN2 4119/4885PRKDC 2446/4885MAPT 3240/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 SMN1; SMN2 2537/4885PRKDC 4592/4885MAPT 2725/4885

“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.