SCHEMBL16901931

SCHEMBL16901931

CCCOCc1ccc(-c2cnn(C(C)(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
GPR183 P32249 1/20 0.43
GPR35 Q9HC97 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
PDE2A O00408 1/20 0.33
TP53 P04637 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
SCHEMBL15596730 0.91 NPC1 (0.43) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL15596647 0.90 NPC1 (0.42) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901904 0.85 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL11938602 0.84 SMN1; SMN2 (0.46) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901942 0.83 NPC1 (0.45) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901900 0.81 NPC1 (0.41) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901895 0.80 NPC1 (0.40) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901903 0.80 NPC1 (0.40) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901902 0.79 MAPK1 (0.41) NPC1RAB9AMEN1KMT2AGALR3
SCHEMBL16901882 0.77 SMN1; SMN2 (0.42) NPC1RAB9AMEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 NPC1 272/4885RAB9A 2222/4885MEN1 57/4885
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 NPC1 272/4885RAB9A 2222/4885MEN1 57/4885
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 NPC1 221/4885RAB9A 2539/4885MEN1 77/4885

“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.