SCHEMBL140322

SCHEMBL140322

CC[n+]1ccc(C=CC=Cc2ccc(N(C)C)cc2)c2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.84
HTT P42858 7/20 0.84
KMT2A Q03164 7/20 0.84
NPSR1 Q6W5P4 6/20 0.84
MEN1 O00255 6/20 0.84
NPC1 O15118 5/20 0.84
L3MBTL1 Q9Y468 5/20 0.84
POLB P06746 5/20 0.84
MAPT P10636 5/20 0.84
NSD2 O96028 4/20 0.84
PKM P14618 4/20 0.84
MAPK1 P28482 4/20 0.84
ALDH1A1 P00352 3/20 0.84
THRB P10828 3/20 0.84
LMNA P02545 3/20 0.84
RAD52 P43351 2/20 0.84
PPARG P37231 2/20 0.84
NCOA2 Q15596 2/20 0.84
NCOA1 Q15788 2/20 0.84
RECQL P46063 2/20 0.84

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
SCHEMBL5701148 1.00 RAB9A (0.84) RAB9AHTTKMT2ANPSR1MEN1
Perchlorate SCHEMBL1405333 0.95 RAB9A (0.77) RAB9AHTTKMT2ANPSR1MEN1
Perchlorate SCHEMBL7130210 0.95 RAB9A (0.77) RAB9AHTTKMT2ANPSR1MEN1
SCHEMBL13428296 0.92 MEN1 (0.97) RAB9AHTTKMT2ANPSR1MEN1
SCHEMBL10036010 0.92 MEN1 (0.97) RAB9AHTTKMT2ANPSR1MEN1
Iodide SCHEMBL11803644 0.91 MEN1 (1.00) RAB9AHTTKMT2ANPSR1MEN1
Perchlorate SCHEMBL7696414 0.89 RAB9A (0.67) RAB9AHTTKMT2ANPSR1MEN1
SCHEMBL6906359 0.83 HTT (0.66) RAB9AHTTKMT2ANPSR1MEN1
SCHEMBL5510788 0.83 HTT (0.66) RAB9AHTTKMT2ANPSR1MEN1
SCHEMBL14984123 0.81 MEN1 (0.77) RAB9AHTTKMT2ANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242015-B2 Development and screening of contrast agents for in vivo imaging of Parkinson's disease THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 US claimed
US-20130259805-A1 DEVELOPMENT AND SCREENING OF CONTRAST AGENTS FOR IN VIVO IMAGING OF PARKINSON'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2013-10-03 US claimed
WO-2012065045-A2 DEVELOPMENT AND SCREENING OF CONTRAST AGENTS FOR IN VIVO IMAGINING OF PARKINSON'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2012-05-18 WO claimed
US-9242015-B2 Development and screening of contrast agents for in vivo imaging of Parkinson's disease THE GENERAL HOSPITAL CORPORATION (US) 2016-01-26 US disclosed
US-9222934-B2 Reagent and reagent kit for analysis of immature leukocyte SYSMEX CORPORATION (JP) 2015-12-29 US disclosed
US-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-8859200-B2 Reagent and reagent kit for analysis of immature leukocyte SYSMEX CORPORATION (JP) 2014-10-14 US disclosed
US-8841134-B2 Fluorescence resonance energy transfer detection with nanoparticles for in vitro and in vivo applications BRUKER BIOSPIN CORPORATION (US) 2014-09-23 US disclosed
US-20130259805-A1 DEVELOPMENT AND SCREENING OF CONTRAST AGENTS FOR IN VIVO IMAGING OF PARKINSON'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2013-10-03 US disclosed
EP-2166354-B1 REAGENT AND REAGENT KIT FOR ANALYSIS OF PRIMITIVE LEUKOCYTE SYSMEX CORP (JP) 2012-11-07 EP disclosed
WO-2012065045-A2 DEVELOPMENT AND SCREENING OF CONTRAST AGENTS FOR IN VIVO IMAGINING OF PARKINSON'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2012-05-18 WO disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US disclosed
US-20090061532-A1 FLUORESCENCE RESONANCE ENERGY TRANSFER DETECTION WITH NANOPARTICLES FOR IN VITRO AND IN VIVO APPLICATIONS CARESTREAM HEALTH, INC. 2009-03-05 US disclosed
US-20080181965-A1 Loaded latex optical molecular imaging probes QUANTUM MEDICAL HOLDINGS, LLC 2008-07-31 US disclosed
US-7151623-B2 Holographic data-storage medium TESA SCRIBOS GMBH (DE) 2006-12-19 US disclosed
EP-1395985-B1 HOLOGRAPHIC DATA-STORAGE MEDIUM TESA SCRIBOS GMBH (DE) 2006-09-06 EP 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-20080181965-A1 Loaded latex optical molecular imaging probes MLX, LOXL1, EPX RAB9A 4669/4885HTT 3673/4885KMT2A 2878/4885
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 RAB9A 4122/4885HTT 129/4885KMT2A 2753/4885
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES LASP1, LSS, SELL RAB9A 1834/4885HTT 2631/4885KMT2A 3321/4885

“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.