SCHEMBL774717

SCHEMBL774717

CCOCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRM2 P08172 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
NAMPT P43490 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CHRNA7 P36544 2/20 0.47
HSD11B1 P28845 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45

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
SCHEMBL493020 0.87 CYP1A2 (0.56) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
Hydrochloric Acid SCHEMBL27794086 0.85 CYP1A2 (0.54) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
SCHEMBL10263928 0.85 TDP1 (0.53) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
SCHEMBL13630753 0.83 CYP1A2 (0.52) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
SCHEMBL24925632 0.81 TDP1 (0.58) CHRNB2CHRNA4TDP1L3MBTL1ALDH1A1
SCHEMBL10379094 0.81 CHRM2 (0.52) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
Nicotinyl Alcohol SCHEMBL19641419 0.81 KDM4E (0.56) CHRNB2CHRNA4TDP1L3MBTL1ALDH1A1
SCHEMBL4726906 0.80 CHRNB2 (0.49) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
SCHEMBL16215605 0.80 CHRNB2 (0.49) CHRNB2CHRNA4TDP1L3MBTL1CHRM2
SCHEMBL9627390 0.80 CHRNB2 (0.49) CHRNB2CHRNA4TDP1L3MBTL1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
US-20220184185-A1 MRNA BASED ENZYME REPLACEMENT THERAPY COMBINED WITH A PHARMACOLOGICAL CHAPERONE FOR THE TREATMENT OF LYSOSOMAL STORAGE DISORDERS MODERNATX, INC. 2022-06-16 US disclosed
US-11135210-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2021-10-05 US disclosed
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-20210060051-A1 COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS EMORY UNIVERSITY 2021-03-04 US disclosed
US-20200375962-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CHEMOCENTRYX, INC. 2020-12-03 US disclosed
US-10626087-B2 Indoline and tetrahydroquinoline sulfonyl inhibitors of dimetalloenzymes and use of the same LOYOLA UNIVERSITY OF CHICAGO (US) 2020-04-21 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-01-22 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
WO-2007025284-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 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 (13 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-20090023734-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC6 CHRNB2 4595/4885CHRNA4 4660/4885TDP1 667/4885
US-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC CHRNB2 4851/4885CHRNA4 4785/4885TDP1 2251/4885
US-20200375962-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CD274, PDCD1LG2, PDCD1 CHRNB2 298/4885CHRNA4 636/4885TDP1 2390/4885
US-20210060051-A1 COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS NOX1, NOX3, NOX4 CHRNB2 692/4885CHRNA4 835/4885TDP1 708/4885
US-10626087-B2 Indoline and tetrahydroquinoline sulfonyl inhibitors of dimetalloenzymes and use of the same MGAM, INMT, NNMT CHRNB2 3269/4885CHRNA4 3122/4885TDP1 937/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CHRNB2 4855/4885CHRNA4 4716/4885TDP1 3193/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CHRNB2 4837/4885CHRNA4 4883/4885TDP1 2972/4885
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE CHRNB2 75/4885CHRNA4 134/4885TDP1 195/4885
US-11135210-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 CHRNB2 298/4885CHRNA4 636/4885TDP1 2390/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 CHRNB2 4855/4885CHRNA4 4716/4885TDP1 3193/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 CHRNB2 4724/4885CHRNA4 4812/4885TDP1 808/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM CHRNB2 4713/4885CHRNA4 4565/4885TDP1 1421/4885
US-20220184185-A1 MRNA BASED ENZYME REPLACEMENT THERAPY COMBINED WITH A PHARMACOLOGICAL CHAPERONE FOR THE TREATMENT OF LYSOSOMAL STORAGE DISORDERS GAA, GBA1, GBA2 CHRNB2 3998/4885CHRNA4 3904/4885TDP1 767/4885

“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.