SCHEMBL21556906

SCHEMBL21556906

N=C(N)NC[C@H](O)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
AOC3 Q16853 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
NMUR2 Q9GZQ4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL18401314 0.82 BCAT2 (0.46) BCAT2AOC3SMN1; SMN2KDM4EALDH1A1
SCHEMBL18741225 0.82 AOC3 (0.46) BCAT2AOC3SMN1; SMN2KDM4EIDO1
SCHEMBL13840697 0.82 ALDH1A1 (0.46) BCAT2AOC3SMN1; SMN2KDM4EIDO1
SCHEMBL3921879 0.81 BCAT2 (0.68) BCAT2AOC3SMN1; SMN2KDM4ETAAR1
SCHEMBL14769096 0.81 BCAT2 (0.68) BCAT2AOC3SMN1; SMN2KDM4ETAAR1
SCHEMBL20852551 0.81 BCAT2 (0.42) BCAT2AOC3SMN1; SMN2KDM4EALDH1A1
SCHEMBL19361242 0.80 BCAT2 (0.45) BCAT2AOC3KDM4EHTR1ABLM
SCHEMBL21556961 0.79 MAPT (0.44) KDM4EALDH1A1BLMTDP1HIF1A
SCHEMBL18401371 0.77 ADRB2 (0.42) SMN1; SMN2KDM4EBLMCYP2C9HIF1A
SCHEMBL17373696 0.76 BCAT2 (0.51) BCAT2SMN1; SMN2KDM4ETAAR1NPC1

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-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 US disclosed
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 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 (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-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 BCAT2 1371/4885AOC3 830/4885SMN1; SMN2 148/4885

“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.