SCHEMBL3921879

SCHEMBL3921879

N=C(N)NCC(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.68
AOC3 Q16853 4/20 0.60
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TAAR1 Q96RJ0 1/20 0.51
ASAH1 Q13510 1/20 0.46
LMNA P02545 3/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14769096 1.00 BCAT2 (0.68) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL2580473 0.81 BCAT2 (0.50) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL21556906 0.81 BCAT2 (0.46) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL18741225 0.81 AOC3 (0.46) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL18401314 0.81 BCAT2 (0.46) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL13840697 0.81 ALDH1A1 (0.46) BCAT2AOC3KDM4ENPC1RAB9A
SCHEMBL14769097 0.81 HIF1A (0.61) BCAT2AOC3KDM4ERAB9ALMNA
SCHEMBL20852549 0.81 HIF1A (0.61) BCAT2AOC3KDM4ERAB9ALMNA
SCHEMBL4530594 0.81 BCAT2 (0.68) BCAT2AOC3KDM4EL3MBTL1NPC1
SCHEMBL21408380 0.81 GBA1 (0.46) BCAT2AOC3KDM4EL3MBTL1

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-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 US claimed
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
US-10259781-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-16 US disclosed
US-20170190658-A1 IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-07-06 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-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 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 BCAT2 2984/4885AOC3 1654/4885KDM4E 1520/4885
US-20060127309-A1 Imaging agents MPI, NPC1, NPC1L1 BCAT2 3648/4885AOC3 3108/4885KDM4E 4387/4885
US-10259781-B2 Imaging agents SLC18A1, VHL, GDI1 BCAT2 2984/4885AOC3 1654/4885KDM4E 1520/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 BCAT2 2984/4885AOC3 1654/4885KDM4E 1520/4885

“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.