SCHEMBL16901896

SCHEMBL16901896

[2H]C([2H])(OCCC)c1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ GPR183 P32249 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK1 P28482 3/20 0.36
▸ MAPK14 Q16539 5/20 0.36
▸ TP53 P04637 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 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
SCHEMBL11938602 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9AMEN1
Flurpiridaz SCHEMBL16901966 0.91 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16901967 0.91 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL16901904 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL10565137 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL18672266 0.86 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL21511186 0.86 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL20159053 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL14768943 0.84 NPC1 (0.52) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL9828005 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPC1RAB9AMEN1

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-9713651-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-25 — — US disclosed
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-20 — — US disclosed
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-06-01 — — US disclosed
US-9555138-B2 — — 2017-01-31 — — US disclosed
US-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2015-07-16 — — 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 (3 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-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 SMN1; SMN2 420/4885LMNA 1473/4885NPC1 272/4885
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 SMN1; SMN2 420/4885LMNA 1473/4885NPC1 272/4885
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 SMN1; SMN2 699/4885LMNA 1449/4885NPC1 221/4885

“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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