SCHEMBL2536697

SCHEMBL2536697

C1=CCC2=Nc3ccccc3SC2=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
DRD2 P14416 3/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
CYP19A1 P11511 1/20 0.33
BCHE P06276 5/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL27874029 0.73
Hydrochloric Acid SCHEMBL28254296 0.72
SCHEMBL27787700 0.68 TRPA1 (0.34) TRPA1DRD2BACE1
SCHEMBL272379 0.67 IDO1 (0.31)
SCHEMBL29473567 0.67 IDO1 (0.31)
SCHEMBL21834864 0.67 DRD2 (0.33) TRPA1DRD2RAB9AMAPTBACE1
SCHEMBL4760147 0.67 TRPA1 (0.36) TRPA1DRD2BACE1
SCHEMBL2594107 0.66 TRPA1 (0.33) TRPA1BACE1CYP19A1
SCHEMBL27458463 0.66 IDO1 (0.30)
SCHEMBL27954167 0.65 TRPA1 (0.38) TRPA1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025350-A Organic compound, preparation method thereof, composition, photoelectric device and display device TCL科技集团股份有限公司 2025-05-23 CN disclosed
CN-114133408-B Boron-based compound and application thereof in organic electroluminescent device 武汉尚赛光电科技有限公司 2024-05-14 CN disclosed
US-11377415-B2 Method for converting N,N-dialkylamide compound into ester compound using complex of fourth-period transition metal as catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-07-05 US disclosed
EP-3760607-A1 METHOD FOR CONVERTING N,N-DIALKYLAMIDE COMPOUND INTO ESTER COMPOUND USING COMPLEX OF FOURTH-PERIOD TRANSITION METAL AS CATALYST Takasago International Corporation (JP) 2021-01-06 EP disclosed
US-20200399200-A1 METHOD FOR CONVERTING N,N-DIALKYLAMIDE COMPOUND INTO ESTER COMPOUND USING COMPLEX OF FOURTH-PERIOD TRANSITION METAL AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-12-24 US disclosed
US-9169206-B2 Organic semiconductor compound, method for preparing the same, and organic semiconductor composition, and organic semiconductor thin film and element containing the same LUMINANO CO., LTD. (KR) 2015-10-27 US disclosed
CN-102675352-A Lithium pyridine formate complex, preparation method thereof and organic electroluminescent device BOE TECHNOLOGY GROUP CO LTD 2012-09-19 CN disclosed
CN-101874316-B Organic EL element and solution containing organic EL material IDEMITSU KOSAN CO 2012-09-05 CN disclosed
CN-101730948-B organic electroluminescent element IDEMITSU KOSAN CO 2012-08-22 CN disclosed
CN-102558163-A Functionalized anthracene end-capped oligothiophene, organic semiconductor based on oligothiophene and application thereof CHINESE ACAD INST CHEMISTRY 2012-07-11 CN disclosed
CN-102443144-A Branched polythiophene derivatives, method for producing same and use thereof CHINESE ACAD INST CHEMISTRY 2012-05-09 CN disclosed
CN-102442993-A Compound having dibenzo group and its derivative, process for producing them and use thereof CHINESE ACAD INST CHEMISTRY 2012-05-09 CN disclosed
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN disclosed
CN-102369615-A Organic electroluminescent element and material for organic electroluminescent element IDEMITSU KOSAN CO 2012-03-07 CN disclosed
CN-102334210-A Organic electroluminescent element IDEMITSU KOSAN CO 2012-01-25 CN disclosed
US-20110253944-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, METHOD FOR PREPARING SAME, AND ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR THIN FILM AND ELEMENT CONTAINING THE SAME LUMINANO CO., LTD. (KR) 2011-10-20 US disclosed
CN-1202800-A Herbicidal composition NOVARTIS AG (CH) 1998-12-23 CN disclosed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 CN 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-11377415-B2 Method for converting N,N-dialkylamide compound into ester compound using complex of fourth-period transition metal as catalyst NEK4, TENT4A, TCF4 TRPA1 2148/4885DRD2 2975/4885RAB9A 2221/4885
US-20110253944-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, METHOD FOR PREPARING SAME, AND ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR THIN FILM AND ELEMENT CONTAINING THE SAME TYR, FTO, PIEZO1 TRPA1 40/4885DRD2 1830/4885RAB9A 1951/4885
US-20200399200-A1 METHOD FOR CONVERTING N,N-DIALKYLAMIDE COMPOUND INTO ESTER COMPOUND USING COMPLEX OF FOURTH-PERIOD TRANSITION METAL AS CATALYST NEK4, TENT4A, TCF4 TRPA1 2148/4885DRD2 2975/4885RAB9A 2221/4885

“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.