SCHEMBL13840704

SCHEMBL13840704

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.44
▸ ADRA2B P18089 2/20 0.44
▸ ADRA2C P18825 2/20 0.44
▸ TSHR P16473 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HIF1A Q16665 4/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NMUR2 Q9GZQ4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL21556992 0.84 ADRA2A (0.43) ADRA2AADRA2BADRA2CTSHRCYP3A4
SCHEMBL22826941 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CTSHRHIF1A
SCHEMBL20852478 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CTSHRHIF1A
SCHEMBL19361305 0.82 ADRA2A (0.41) ADRA2AADRA2BADRA2CTSHRHIF1A
SCHEMBL13840702 0.80 BCAT2 (0.40) ADRA2AADRA2BADRA2CTSHRCYP3A4
SCHEMBL13840703 0.76 MAPT (0.47) ADRA2AADRA2BADRA2CTSHRCYP3A4
SCHEMBL14769097 0.72 HIF1A (0.61) ADRA2AADRA2BADRA2CTSHRHIF1A
SCHEMBL20852549 0.72 HIF1A (0.61) ADRA2AADRA2BADRA2CTSHRHIF1A
SCHEMBL13840700 0.71 ADRB2 (0.46) TSHRCYP3A4HIF1ABLMKDM4E
SCHEMBL21556875 0.70 BCAT2 (0.38) ADRA2AADRA2BADRA2CTSHRCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20150246142-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 ADRA2A 153/4885ADRA2B 202/4885ADRA2C 270/4885
US-20170190658-A1 IMAGING AGENTS SLC18A1, VHL, GDI1 ADRA2A 153/4885ADRA2B 202/4885ADRA2C 270/4885

“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.

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