SCHEMBL16901898

SCHEMBL16901898

Cc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)c(OCCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ NR2F2 P24468 1/20 0.36

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
SCHEMBL16903771 0.89 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL21442599 0.86 SMN1; SMN2 (0.55) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL16901923 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15596810 0.83 SMN1; SMN2 (0.43) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL16903976 0.80 SMN1; SMN2 (0.39) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15596705 0.80 SMN1; SMN2 (0.39) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL1627514 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL15565446 0.78 RAB9A (0.45) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL13694257 0.77 SMN1; SMN2 (0.55) SMN1; SMN2LMNANPSR1HPGDHTT
SCHEMBL16901949 0.77 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPSR1HPGDHTT

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-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-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 (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-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

“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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