SCHEMBL2411928

SCHEMBL2411928

c1ccc(B(OCc2ccccn2)c2ccc(COCc3ccc(B(OCc4ccccn4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 1/20 0.52
LYPLA2 O95372 1/20 0.52
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
MAOB P27338 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TRPM2 O94759 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL12266348 0.89 ALDH1A1 (0.47) LYPLA1LYPLA2SMN1; SMN2NPC1LMNA
SCHEMBL12266314 0.87 TSHR (0.45) LYPLA1LYPLA2ABCB1HTR1ADRD2
SCHEMBL12266351 0.84 SYK (0.50) ABCB1HTR1ADRD2SMN1; SMN2NPC1
SCHEMBL1186729 0.80 SMN1; SMN2 (0.49) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1187407 0.80 RAB9A (0.45) ABCB1HTR1ADRD2SMN1; SMN2RAB9A
SCHEMBL12314717 0.80 PTPRA (0.40) ABCB1HTR1ADRD2TSHRSMN1; SMN2
SCHEMBL9673277 0.79 TSHR (0.60) ABCB1HTR1ADRD2TSHRSMN1; SMN2
SCHEMBL12266424 0.78 ABCB1 (0.40) ABCB1HTR1ADRD2TSHRSMN1; SMN2
SCHEMBL13383673 0.78 ENPP2 (0.43) ABCB1HTR1ADRD2TSHRSMN1; SMN2
SCHEMBL12270615 0.78 SYK (0.48) TSHRLMNAALDH1A1SYKL3MBTL1

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 2 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US 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 LYPLA1 1153/4885LYPLA2 1988/4885ABCB1 2189/4885

“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.