SCHEMBL4718488

SCHEMBL4718488

O=C1NCCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
S100A4 P26447 2/20 0.46
PARP1 P09874 2/20 0.46
PDPK1 O15530 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PNMT P11086 1/20 0.43
PTPRC P08575 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1585545 0.83 ACHE (0.53) ACHES100A4PARP1MAPTRECQL
SCHEMBL2060410 0.79 S100A4 (0.47) ACHES100A4PARP1MAPTRECQL
SCHEMBL12087018 0.78 HTR2A (0.42) ACHEPARP1PDPK1PARP10PARP11
SCHEMBL376278 0.78 PNMT (0.47) ACHES100A4MAPTPNMTALDH1A1
SCHEMBL4621603 0.76 ACHE (0.56) ACHES100A4MAPTRECQLKMT2A
SCHEMBL12087016 0.75 HTR2A (0.40) PARP1PDPK1PARP10PARP11MAPT
SCHEMBL7581608 0.74 PARP1 (0.57) ACHES100A4PARP1PDPK1PARP10
SCHEMBL4694280 0.74 TDP2 (0.59) ACHES100A4MAPTRECQLKMT2A
SCHEMBL19308811 0.74 PARP10 (0.53) PARP1PDPK1PARP10PARP11TUBB4A
SCHEMBL10566080 0.73 ACHE (0.53) ACHES100A4MAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
CN-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
WO-2022180136-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 WO disclosed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP disclosed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US disclosed
US-20050049253-A1 Substituted quinolinone derivatives and methods of use AMGEN INC. 2005-03-03 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 (2 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-20050049253-A1 Substituted quinolinone derivatives and methods of use NQO1, NQO2, UGT1A1 ACHE 2495/4885S100A4 4089/4885PARP1 479/4885
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 ACHE 4868/4885S100A4 2116/4885PARP1 2778/4885

“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.