SCHEMBL13840697

SCHEMBL13840697

Cc1ccc([C@@H](O)CNC(=N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
BCAT2 O15382 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
NMUR2 Q9GZQ4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
AOC3 Q16853 4/20 0.41
NR3C2 P08235 1/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL22827193 0.84 ALDH1A1 (0.47) ALDH1A1MAPTBCAT2SMN1; SMN2HTR1A
SCHEMBL18741225 0.82 AOC3 (0.46) ALDH1A1BCAT2SMN1; SMN2HTR1ATHPO
SCHEMBL21556906 0.82 BCAT2 (0.46) ALDH1A1BCAT2SMN1; SMN2HTR1ATHPO
SCHEMBL18401314 0.82 BCAT2 (0.46) ALDH1A1BCAT2SMN1; SMN2HTR1ATHPO
SCHEMBL14769096 0.81 BCAT2 (0.68) BCAT2SMN1; SMN2KDM4ETAAR1AOC3
SCHEMBL3921879 0.81 BCAT2 (0.68) BCAT2SMN1; SMN2KDM4ETAAR1AOC3
SCHEMBL13840699 0.80 BCAT2 (0.45) BCAT2HTR1ABLMKDM4EHIF1A
SCHEMBL13840703 0.79 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2THPOBLM
SCHEMBL20852551 0.78 BCAT2 (0.42) ALDH1A1BCAT2SMN1; SMN2HTR1ATHPO
SCHEMBL13840700 0.77 ADRB2 (0.46) SMN1; SMN2BLMKDM4ECYP2C9HIF1A

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 7 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
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-20170190658-A1 IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20150246142-A1 IMAGING AGENTS UNIV MICHIGAN (US) 2015-09-03 US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 US disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 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 (4 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-20150246142-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 ALDH1A1 3271/4885MAPT 966/4885BCAT2 2984/4885
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ALDH1A1 2699/4885MAPT 839/4885BCAT2 1371/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 ALDH1A1 3271/4885MAPT 966/4885BCAT2 2984/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ALDH1A1 2699/4885MAPT 839/4885BCAT2 1371/4885

“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.