SCHEMBL3032129

SCHEMBL3032129

Nc1ccc(-n2nc3ccc(I)cc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.60
MEN1 O00255 15/20 0.60
KMT2A Q03164 15/20 0.60
RAB9A P51151 13/20 0.60
KDM4E B2RXH2 8/20 0.60
MAPT P10636 7/20 0.60
ALDH1A1 P00352 7/20 0.60
HPGD P15428 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ATM Q13315 3/20 0.60
GAA P10253 2/20 0.60
TP53 P04637 2/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
HSD17B10 Q99714 2/20 0.60
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
STAT1 P42224 1/20 0.59
PKM P14618 1/20 0.51
MCL1 Q07820 1/20 0.44

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
SCHEMBL7047234 0.85 MEN1 (0.79) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL13379899 0.82 NPC1 (0.65) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL13290988 0.79 NPC1 (0.60) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL3040313 0.79 NPC1 (0.81) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL13290989 0.79 NPC1 (0.81) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL10759780 0.79 NPC1 (0.81) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL3033496 0.78 ALOX5 (0.50) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL8995917 0.77 KDM4E (0.67) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL3028821 0.76 PPARG (0.46) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL3219297 0.75 NPC1 (1.00) NPC1MEN1KMT2ARAB9AKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090321646-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID(S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2009-12-31 US claimed
EP-1904828-A4 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER AUSTRALIAN WINE RES INST (AU) 2008-11-19 EP claimed
EP-1904828-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER The Australian Wine Research Institute (AU) 2008-04-02 EP claimed
WO-2007006099-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2007-01-18 WO claimed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-20090321646-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID(S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2009-12-31 US disclosed
EP-1904828-A4 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER AUSTRALIAN WINE RES INST (AU) 2008-11-19 EP disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 WO disclosed
EP-1904828-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER The Australian Wine Research Institute (AU) 2008-04-02 EP disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
WO-2007006099-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2007-01-18 WO 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 (4 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-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses APP, BACE1, BACE2 NPC1 160/4885MEN1 1639/4885KMT2A 4034/4885
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 NPC1 160/4885MEN1 1639/4885KMT2A 4034/4885
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 NPC1 160/4885MEN1 1639/4885KMT2A 4034/4885
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 NPC1 160/4885MEN1 1639/4885KMT2A 4034/4885

“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.