SCHEMBL2409329

SCHEMBL2409329

NCCOB(c1ccccc1)c1cccc(B(OCCN)c2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.85
HPGD P15428 2/20 0.85
MAPK1 P28482 2/20 0.85
MEN1 O00255 1/20 0.85
TRPM2 O94759 1/20 0.85
ALDH1A1 P00352 1/20 0.85
CYP1A2 P05177 1/20 0.85
CYP3A4 P08684 1/20 0.85
THRB P10828 1/20 0.85
ALOX15 P16050 1/20 0.85
TSHR P16473 1/20 0.85
ALOX12 P18054 1/20 0.85
KMT2A Q03164 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
LYPLA1 O75608 1/20 0.41

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
SCHEMBL2410144 0.94 KDM4E (0.88) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL341835 0.92 KDM4E (1.00) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL2412888 0.90 KDM4E (0.96) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL12266225 0.86 KDM4E (0.73) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL13383633 0.85 TSHR (0.67) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL30096561 0.85 TSHR (0.67) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL16151484 0.85 TSHR (0.67) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL12266161 0.85 HPGD (0.67) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL12270752 0.82 KDM4E (0.81) KDM4EHPGDMAPK1MEN1TRPM2
SCHEMBL12266167 0.82 TSHR (0.61) KDM4EHPGDMAPK1MEN1TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO 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 (1 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 KDM4E 1022/4885HPGD 3292/4885MAPK1 794/4885

“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.