SCHEMBL485717

SCHEMBL485717

Cc1ccc(S(=O)(=O)OCCCNc2ccc(C#Cc3nc4ccccc4n3C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 2/20 0.40
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 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
SCHEMBL13189589 0.85 CA1 (0.53) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL484157 0.78 APP (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL12403456 0.75 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6609665 0.74 HSD11B1 (0.47) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2954485 0.74 RORC (0.43) RAB9AALDH1A1MAPTGAAMEN1
SCHEMBL12403481 0.72 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2163617 0.72 HPGD (0.49) SMN1; SMN2ALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL10064823 0.71 MGLL (0.56) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2162756 0.69 KDM4E (0.37) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL31606584 0.68 CA12 (0.49) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885SMN1; SMN2 39/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 143/4885RAB9A 1434/4885SMN1; SMN2 26/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885SMN1; SMN2 39/4885

“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.