SCHEMBL2164236

SCHEMBL2164236

CNc1ccc(-c2ccc3ncccc3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
POLB P06746 3/20 0.70
RAB9A P51151 2/20 0.70
DYRK1A Q13627 1/20 0.57
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.49
PLK1 P53350 1/20 0.49
MMP9 P14780 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL2162877 0.87 ALDH1A1 (0.51) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL24229481 0.86 NPC1 (0.75) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL31451575 0.86 NPC1 (0.75) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL3155590 0.86 NPC1 (0.62) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL29757180 0.84 NPC1 (1.00) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL30743 0.84 NPC1 (1.00) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL23555377 0.81 NPC1 (0.78) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL8337885 0.81 NPC1 (0.78) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL30592751 0.80 NPC1 (0.84) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL443618 0.80 NPC1 (0.84) NPC1POLBRAB9ADYRK1AALDH1A1

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 14 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-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-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 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 68/4885POLB 3035/4885RAB9A 1055/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 143/4885POLB 2199/4885RAB9A 1434/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 NPC1 68/4885POLB 3035/4885RAB9A 1055/4885

“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.