SCHEMBL18401331

SCHEMBL18401331

N=C(N)NC[C@H](O)c1cc(O)cc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.42
HIF1A Q16665 4/20 0.42
TSHR P16473 3/20 0.42
ADRA1A P35348 2/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 3/20 0.41
CASP7 P55210 2/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 2/20 0.38
BLM P54132 2/20 0.38
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB1 P08588 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL21556957 0.81 ADRB2 (0.42) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL21556942 0.81 ADRB2 (0.42) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL18401387 0.81 ADRB2 (0.42) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL13840700 0.81 ADRB2 (0.46) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL18401371 0.81 ADRB2 (0.42) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL18401333 0.78 BCAT2 (0.45) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL21556887 0.78 ADRB2 (0.40) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL18401314 0.77 BCAT2 (0.46) HIF1ACYP2C9BLMKDM4ESMN1; SMN2
SCHEMBL20852549 0.76 HIF1A (0.61) ADRB2HIF1ATSHRADRA1ALMNA
SCHEMBL14769097 0.76 HIF1A (0.61) ADRB2HIF1ATSHRADRA1ALMNA

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 5 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
EP-2753605-B1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-03-27 EP 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-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 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 (2 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRB2 1050/4885HIF1A 280/4885TSHR 3677/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 ADRB2 1050/4885HIF1A 280/4885TSHR 3677/4885

“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.