SCHEMBL18672249

SCHEMBL18672249

CC(C)(C)n1ncc(OCc2ccc(CCl)cc2)c(Cl)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
GPR183 P32249 1/20 0.49
GPR35 Q9HC97 1/20 0.49
HTT P42858 3/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 3/20 0.41
MAPK14 Q16539 5/20 0.39
TP53 P04637 1/20 0.37
TSHR P16473 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 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
SCHEMBL18672266 0.95 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL14768943 0.90 NPC1 (0.52) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL13694257 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL18672246 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL14760853 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL9232300 0.89 RAB9A (0.63) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL14761331 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL15596642 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL9233810 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL20159053 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210187131-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2021-06-24 US disclosed
US-10842892-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof LANTHEUS MEDICAL IMAGING, INC. (US) 2020-11-24 US disclosed
US-20190290788-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2019-09-26 US disclosed
US-10022462-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof LANTHEUS MEDICAL IMAGING, INC. (US) 2018-07-17 US disclosed
EP-3323810-A2 AUTOMATED REACTION SYSTEM, CASSETTE AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2018-05-23 EP disclosed
US-20170258947-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-14 US disclosed
EP-2534136-B1 METHODS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF LANTHEUS MEDICAL IMAGING INC (US) 2017-09-06 EP disclosed
US-9603951-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof LANTHEUS MEDICAL IMAGING, INC. (US) 2017-03-28 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 (5 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-20190290788-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF TNNI3, FABP3, MPI SMN1; SMN2 2628/4885NPC1 1259/4885RAB9A 3623/4885
US-20210187131-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF TNNI3, FABP3, MPI SMN1; SMN2 2628/4885NPC1 1259/4885RAB9A 3623/4885
US-10022462-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof TNNI3, FABP3, MPI SMN1; SMN2 2628/4885NPC1 1259/4885RAB9A 3623/4885
US-10842892-B2 Methods and apparatus for synthesizing imaging agents, and intermediates thereof TNNI3, FABP3, MPI SMN1; SMN2 2628/4885NPC1 1259/4885RAB9A 3623/4885
US-20170258947-A1 METHODS AND APPARATUS FOR SYNTHESIZING IMAGING AGENTS, AND INTERMEDIATES THEREOF TNNI3, FABP3, MPI SMN1; SMN2 2628/4885NPC1 1259/4885RAB9A 3623/4885

“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.