SCHEMBL54919

SCHEMBL54919

c1ccc2c(c1)N=c1cc3c(cc1S2)=Nc1ccccc1S3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
BACE1 P56817 1/20 0.44
DRD2 P14416 6/20 0.40
HTR2C P28335 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.37
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
CHRM1 P11229 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CHRM3 P20309 2/20 0.37
DRD1 P21728 2/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37

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
SCHEMBL29352703 1.00 TRPA1 (0.45) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL30004254 0.92 BACE1 (0.44) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL21062864 0.84 TRPA1 (0.40) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL21062863 0.84 TRPA1 (0.40) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL817383 0.83 BACE1 (0.35) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL7785362 0.81 BACE1 (0.38) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL29120320 0.80 DRD2 (0.34) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL17289207 0.80 BACE1 (0.33) TRPA1BACE1DRD2HTR2CSLC6A2
SCHEMBL20553322 0.79 BCHE (0.37) TRPA1BACE1DRD2LMNAMAPT
SCHEMBL19322822 0.78 MAOA (0.42) BACE1LMNAMAPTMAOACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11906866-B2 Electrochromic films and methods of forming and using GENTEX CORPORATION (US) 2024-02-20 US claimed
CN-115851150-A High-toughness polypropylene decorative film and preparation method and application thereof 大正新型材料(肇庆)有限公司 2023-03-28 CN claimed
EP-4119598-A1 NANOCOMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore ApS (DK) 2023-01-18 EP claimed
CN-115536937-A High-temperature-resistant polypropylene extrusion foaming sheet and preparation method thereof 武汉工程大学 2022-12-30 CN claimed
CN-112631032-B Composition for forming solution-type electrochromic layer, and electrochromic layer and electrochromic device prepared therefrom 青岛凯欧斯光电科技有限公司 2022-12-09 CN claimed
CN-112631033-B Composition for forming solution-type electrochromic layer, and electrochromic layer and electrochromic device prepared therefrom 青岛凯欧斯光电科技有限公司 2022-11-01 CN claimed
CN-114667482-A Electro-optical element and forming method 金泰克斯公司 2022-06-24 CN claimed
EP-3948414-A1 ELECTRO-OPTIC SUB-ASSEMBLIES AND ASSEMBLIES HAVING AN ELECTROCHROMIC GEL LAYER GENTEX CORPORATION (US) 2022-02-09 EP claimed
CN-113614629-A Electro-optical subassembly and assembly with electrochromic gel layer 金泰克斯公司 2021-11-05 CN claimed
US-20210318584-A9 ELECTROCHROMIC COMPOUNDS AND DEVICES GENTEX CORPORATION 2021-10-14 US claimed
US-5998617-A MIXTURE OF ELECTROACTIVE MATERIALS AT PRESELECTIVE CONCENTRATION; GRAY COLOR GENTEX CORPORATION (US) 1999-12-07 US claimed
EP-0949612-A1 An optical recording medium Samsung Electronics Co., Ltd. (KR) 1999-10-13 EP claimed
US-5955168-A Optical recording medium SAMSUNG ELECTRONICS CO., LTD. (KR) 1999-09-21 US claimed
EP-0836179-A1 An optical recording medium Samsung Electronics Co., Ltd. (KR) 1998-04-15 EP claimed
EP-0458604-B1 Method and apparatus for recording and reproducing information in cells using multiple interference CANON KK (JP) 1997-08-27 EP claimed
EP-0361186-B1 Direct dyes BAYER AG (DE) 1994-06-01 EP claimed
EP-0287394-B1 Process for producing optical recording medium CANON KK (JP) 1994-03-02 EP claimed
EP-0498657-A2 Optical recording medium, method of reproducing recorded data of optical recording medium, and system for reproducing recorded data of optical recording medium CANON KABUSHIKI KAISHA (JP) 1992-08-12 EP claimed
EP-0458604-A2 Method and apparatus for recording and reproducing information in cells using multiple interference CANON KABUSHIKI KAISHA (JP) 1991-11-27 EP claimed
US-4990615-A Color/blue/, colorfastness BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US 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 (1 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-20210318584-A9 ELECTROCHROMIC COMPOUNDS AND DEVICES KCND2, KCNH2, KCNC1 TRPA1 257/4885BACE1 3802/4885DRD2 454/4885

“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.