SCHEMBL16901949

SCHEMBL16901949

CCCCOc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL30569532 0.92 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL15567216 0.92 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL16901938 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL12722376 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL16901950 0.84 SMN1; SMN2 (0.53) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL30569526 0.83 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL15566998 0.83 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL16901921 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL16901901 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNANPSR1HTTHPGD
SCHEMBL16901911 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNANPSR1HTTHPGD

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-11744906-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2023-09-05 — — US disclosed
US-9919064-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2018-03-20 — — US disclosed
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 (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-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 SMN1; SMN2 420/4885LMNA 1473/4885NPSR1 105/4885
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 SMN1; SMN2 420/4885LMNA 1473/4885NPSR1 105/4885
US-11744906-B2 Compositions, methods, and systems for the synthesis and use of imaging agents FABP3, TNNI3, TNNT2 SMN1; SMN2 699/4885LMNA 1449/4885NPSR1 146/4885
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 SMN1; SMN2 699/4885LMNA 1449/4885NPSR1 146/4885

“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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