SCHEMBL438969

SCHEMBL438969

C1=Cc2ccccc2SN=N1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31

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
SCHEMBL25408003 0.98 TRPA1 (0.31) TRPA1
Hydrochloric Acid SCHEMBL10934502 0.98 TRPA1 (0.31) TRPA1
Maleic Acid SCHEMBL10933625 0.86 HCAR2 (0.35)
SCHEMBL2141215 0.77 TRPA1 (0.33) TRPA1
SCHEMBL1449515 0.77 TRPA1 (0.33) TRPA1
SCHEMBL207685 0.68 TRPA1 (0.31) TRPA1
SCHEMBL29286255 0.67 TRPA1 (0.41) TRPA1
SCHEMBL29901519 0.65 TRPA1 (0.31) TRPA1
SCHEMBL28240692 0.65 TRPA1 (0.31) TRPA1
SCHEMBL5637462 0.65 TRPA1 (0.31) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024102758-A2 N-(N-AMINOALKYL)PHENANTHRIDIUNIUM SERIES OF CHLORIDE-SENSITIVE FLUOROPHORES AND METHODS OF USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2024-05-16 WO claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US claimed
US-8101589-B2 Nitric oxide-releasing molecules NOXILIZER, INC. (US) 2012-01-24 US claimed
JP-4738352-B2 2011-08-03 JP claimed
US-7829553-B2 generation of NO from a C-based diazeniumdiolate that is covalently attached to a phenyl-containing polymer( polystyrene homo or copolymer, polyethyene terephthalate, polyamides etc.) without the possibility to form nitrosamines; of vascular stents, vascular grafts, catheters, wound dressings, bandages AMULET PHARMACEUTICALS, INC. (US) 2010-11-09 US claimed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US claimed
US-20090270509-A1 NITRIC OXIDE-RELEASING MOLECULES NOXILIZER, INC. (US) 2009-10-29 US claimed
US-7569559-B2 Nitric oxide-releasing molecules NOXILIZER, INC. (US) 2009-08-04 US claimed
US-20070286840-A1 generation of NO from a C-based diazeniumdiolate that is covalently attached to a phenyl-containing polymer( polystyrene homo or copolymer, polyethyene terephthalate, polyamides etc.) without the possibility to form nitrosamines; of vascular stents, vascular grafts, catheters, wound dressings, bandages AMULET PHARMACEUTICALS, INC. 2007-12-13 US claimed
EP-1718316-A2 NITRIC OXIDE-RELEASING POLYMERS Amulet Pharmaceuticals, Inc. (US) 2006-11-08 EP claimed
EP-1718603-A2 NITRIC OXIDE-RELEASING MOLECULES Noxilizer, Inc. (US) 2006-11-08 EP claimed
US-20050203069-A1 Nitric oxide-releasing molecules NOXILIZER, INC. 2005-09-15 US claimed
WO-2005081752-A2 NITRIC OXIDE-RELEASING POLYMERS AMULET PHARMACEUTICALS, INC. (US) 2005-09-09 WO claimed
WO-2005081753-A2 NITRIC OXIDE-RELEASING MOLECULES NOXILIZER, INC. (US) 2005-09-09 WO claimed
WO-1998038182-A1 HYPOLIPIDEMIC BICYCLIC DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-09-03 WO claimed
EP-0394484-B1 BENZOTHIADIAZEPINE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP claimed
US-5036065-A Antiarrythmic agents, anesthetics, calcium antagonists TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-07-30 US claimed
EP-0394484-A1 BENZOTHIADIAZEPINE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-10-31 EP claimed
EP-0042354-B1 IMIDAZOBENZOTHIADIAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1985-12-11 EP claimed

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-20090270509-A1 NITRIC OXIDE-RELEASING MOLECULES NOS2, NOS1, NOS3 TRPA1 630/4885
US-20050203069-A1 Nitric oxide-releasing molecules NOS2, NOS1, NOS3 TRPA1 630/4885
US-20070286840-A1 generation of NO from a C-based diazeniumdiolate that is covalently attached to a phenyl-containing polymer( polystyrene homo or copolymer, polyethyene terephthalate, polyamides etc.) without the possibility to form nitrosamines; of vascular stents, vascular grafts, catheters, wound dressings, bandages NOS3, NOS2, DDT TRPA1 1179/4885

“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.