SCHEMBL561485

SCHEMBL561485

N#CC1=Nc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.45
HRH4 Q9H3N8 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
CTSD P07339 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 4/20 0.34
BCHE P06276 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL31015696 1.00 TRPA1 (0.45) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL20080105 0.83 NOS3 (0.52) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL10858753 0.78 NOS3 (0.45) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL5366018 0.75 HRH4 (0.46) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL12652383 0.72 PDE3B (0.39) PDE3BPDE3A
SCHEMBL85780 0.72 TRPA1 (0.37) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL18895781 0.72 CYP2D6 (0.38) NOS3NOS1NOS2NPC1ALDH1A1
SCHEMBL5021700 0.72 NOS3 (0.46) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL13961627 0.71 HRH4 (0.46) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL13324883 0.71 TSHR (0.39) TRPA1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536548-A PHTHALOCYANINE DYE AND A SECOND DYE WITH A LOWER HEAT DECOMPOSITION TEMPERATURE TDK CORPORATION (JP) 1996-07-16 US claimed
EP-3051349-A1 ALKALI-SOLUBLE POLYMER AND POLYMERIZABLE COMPOSITION THEREOF FUJIFILM Corporation (JP) 2016-08-03 EP disclosed
EP-1505441-B1 Alkali-soluble polymer, polymerizable composition comprising the same, negative image-recording material and process for image forming FUJIFILM CORP (JP) 2016-04-20 EP disclosed
EP-1502941-B1 Image-forming method and developer FUJIFILM CORP (JP) 2015-12-23 EP disclosed
US-9110069-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2015-08-18 US disclosed
US-20140086844-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2014-03-27 US disclosed
US-8552027-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2013-10-08 US disclosed
US-20120035346-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2012-02-09 US disclosed
US-7997814-B2 Dipping-type automatic developing apparatus and method for lithographic printing plates FUJIFILM CORPORATION (JP) 2011-08-16 US disclosed
WO-2010083471-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2010-07-22 WO disclosed
US-20050026091-A1 Image-forming method and developer FUJI PHOTO FILM CO., LTD. (JP) 2005-02-03 US disclosed
EP-1503247-A2 Image-forming method and developer FUJI PHOTO FILM CO., LTD. (JP) 2005-02-02 EP disclosed
EP-1502941-A2 Image-forming method and developer FUJI PHOTO FILM CO., LTD. (JP) 2005-02-02 EP disclosed
EP-1039457-B1 Optical information recording medium FUJI PHOTO FILM CO LTD (JP) 2004-02-04 EP disclosed
US-6441191-B1 INFRARED ABSORBING AGENTS IN COLLOIDAL LAYERS FOR PHOTOGRAPHIC RECORDING MATERIALS; LONG WAVELENGTH; INTENSE ABSORPTION HONEYWELL INTERNATIONAL INC. 2002-08-27 US disclosed
US-6338889-B1 TRANSPARENT SUBSTRATE, LAYERS OF METAL FOR REFLECTION, LIGHT SHIELDS AND PRINTING LAYERS WITH BINDERS OF POLYMERS AND ZINC SULFIDE FUJI PHOTO FILM CO., LTD. (JP) 2002-01-15 US disclosed
US-6261753-B1 INFRARED RADIATION ABSORBERS; PHOTOGRAPHIC RECORDING MATERIALS RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
EP-1039457-A1 Optical information recording medium FUJI PHOTO FILM CO., LTD. (JP) 2000-09-27 EP disclosed
US-5747233-A INFRARED ABSORBERS AND PHOTOGRAPHY RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
US-5536548-A PHTHALOCYANINE DYE AND A SECOND DYE WITH A LOWER HEAT DECOMPOSITION TEMPERATURE TDK CORPORATION (JP) 1996-07-16 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 (2 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-20140086844-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS TRPA1 1073/4885HRH4 3314/4885NOS3 3052/4885
US-20120035346-A1 LUMINESCENT COMPOUNDS PHOSPHO1, PGLS, PFAS TRPA1 1083/4885HRH4 3337/4885NOS3 3345/4885

“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.