SCHEMBL77583

SCHEMBL77583

CC(C)(C)c1cccc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.50
NOS3 P29474 2/20 0.50
ASIC3 Q9UHC3 1/20 0.40
NOS1 P29475 1/20 0.39
IDH1 O75874 2/20 0.39
GRM4 Q14833 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 3/20 0.34
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
BACE1 P56817 4/20 0.33
NCF1 P14598 2/20 0.33
NCK1 P16333 1/20 0.33
PLAU P00749 1/20 0.33
SYK P43405 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 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
SCHEMBL30695913 1.00 NOS2 (0.50) NOS2NOS3ASIC3NOS1IDH1
Hydrochloric Acid SCHEMBL9985132 0.98 NOS2 (0.48) NOS2NOS3ASIC3NOS1IDH1
SCHEMBL30464720 0.82 NOS2 (0.46) NOS2NOS3ASIC3NOS1IDH1
SCHEMBL22828437 0.82 NOS3 (0.46) NOS2NOS3ASIC3NOS1IDH1
SCHEMBL15091255 0.82 NOS2 (0.46) NOS2NOS3ASIC3NOS1IDH1
SCHEMBL23021115 0.82 NOS2 (0.46) NOS2NOS3ASIC3NOS1IDH1
SCHEMBL42955 0.82 PGK1 (0.39) IDH1HSD17B10KDM4ESYK
Hydrochloric Acid SCHEMBL23649640 0.80 NOS3 (0.45) NOS2NOS3ASIC3NOS1IDH1
Iodide SCHEMBL2346492 0.79 PGK1 (0.38) IDH1HSD17B10KDM4ESYK
Hydrochloric Acid SCHEMBL30595152 0.79 PGK1 (0.38) IDH1KDM4ESYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-07-04 US disclosed
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11761007-B2 Production of unnatural nucleotides using a CRISPR/Cas9 system THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-11761007-B2 Production of unnatural nucleotides using a CRISPR/Cas9 system THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-07-06 US disclosed
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-07-06 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 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 (11 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 NOS2 1178/4885NOS3 1944/4885ASIC3 292/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A NOS2 4271/4885NOS3 4158/4885ASIC3 4179/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NOS2 1530/4885NOS3 1103/4885ASIC3 2285/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NOS2 1473/4885NOS3 1486/4885ASIC3 2307/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 NOS2 4814/4885NOS3 4780/4885ASIC3 4396/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B NOS2 3745/4885NOS3 3855/4885ASIC3 3916/4885
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP NOS2 1924/4885NOS3 2162/4885ASIC3 4078/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 NOS2 2604/4885NOS3 3246/4885ASIC3 4801/4885
US-20230212143-A9 PRMT5 INHIBITOR COMPOUNDS PRMT5, PRMT1, PRMT6 NOS2 1472/4885NOS3 1790/4885ASIC3 4367/4885
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof SLC35B2, SLC29A2, PNP NOS2 1924/4885NOS3 2162/4885ASIC3 4078/4885
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same CTRL, PEPD, PRCP NOS2 3826/4885NOS3 2938/4885ASIC3 3868/4885

“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.