SCHEMBL307869

SCHEMBL307869

Cc1cnc(N)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 5/20 0.52
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
CYP3A4 P08684 3/20 0.47
GPR35 Q9HC97 1/20 0.47
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 5/20 0.38

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
SCHEMBL29674758 1.00 SMN1; SMN2 (0.54) SMN1; SMN2TSHRNOS3NOS1NOS2
SCHEMBL9367583 0.80 TDP1 (0.48) TSHRCYP3A4GPR35ALDH1A1RECQL
SCHEMBL30467812 0.80 TDP1 (0.48) TSHRCYP3A4GPR35ALDH1A1RECQL
SCHEMBL761929 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCYP3A4GPR35ALDH1A1
SCHEMBL2979098 0.80 MAP4K4 (0.49) TSHRCYP3A4MAPTLMNATDP1
SCHEMBL203312 0.78 INPPL1 (0.46) TSHRCYP3A4ALDH1A1MAPTTDP1
SCHEMBL986221 0.78 TDP1 (0.52) SMN1; SMN2TSHRCYP3A4GPR35ALDH1A1
SCHEMBL30122384 0.78 TDP1 (0.52) SMN1; SMN2TSHRCYP3A4GPR35ALDH1A1
SCHEMBL12161594 0.78 SMN1; SMN2 (0.56) SMN1; SMN2TSHRCYP3A4GPR35ALDH1A1
SCHEMBL3840189 0.77 TDP1 (0.41) TSHRCYP3A4ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
US-11081651-B2 Organic semiconductor element, organic semiconductor composition, method of manufacturing organic semiconductor film, organic semiconductor film, and compound and polymer using the same FUJIFILM CORPORATION (JP) 2021-08-03 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190330167-A1 ACTIVATORS OF HIV LATENCY THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2019-10-31 US disclosed
CN-109956927-A Benzimidazoles derivative, preparation method and its in application pharmaceutically 北京诺诚健华医药科技有限公司 2019-07-02 CN disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20060173019-A1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. 2006-08-03 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 WO disclosed
US-5863916-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER-EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1999-01-26 US disclosed
US-5620978-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
EP-0743855-A1 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
WO-1995018616-A2 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARM INC (US) 1995-07-13 WO disclosed
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-3968116-A HERBICIDE ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed
US-3963734-A HERBICIDES, HERBICIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1976-06-15 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 (8 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-20060173019-A1 Heteroaryl sulfonamides and CCR2 CCR2, CXCR2, CCR1 SMN1; SMN2 2479/4885TSHR 1159/4885NOS3 3260/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885NOS3 4006/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 SMN1; SMN2 4160/4885TSHR 1824/4885NOS3 2273/4885
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 SMN1; SMN2 2585/4885TSHR 1480/4885NOS3 702/4885
US-20190330167-A1 ACTIVATORS OF HIV LATENCY NFATC1, EP300, CD69 SMN1; SMN2 4829/4885TSHR 4851/4885NOS3 2263/4885
US-11081651-B2 Organic semiconductor element, organic semiconductor composition, method of manufacturing organic semiconductor film, organic semiconductor film, and compound and polymer using the same SNRPD2, SNRPD1, RER1 SMN1; SMN2 295/4885TSHR 901/4885NOS3 217/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885NOS3 4006/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885NOS3 4006/4885

“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.