SCHEMBL4099183

SCHEMBL4099183

COC(=O)c1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ABCC4 O15439 1/20 0.48
PLIN1 O60240 1/20 0.48
CACNA1F O60840 1/20 0.48
GMNN O75496 1/20 0.48
KCNK2 O95069 1/20 0.48
ABCB11 O95342 1/20 0.48
GSR P00390 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL11398188 0.88 TDP1 (0.56) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL13983227 0.83 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL283363 0.82 TDP1 (0.68) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL50994 0.82 TSHR (0.54) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL15971290 0.82 CA12 (0.67) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL2061831 0.81 TDP1 (0.49) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL1800859 0.81 ALDH1A1 (0.51) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL1612194 0.81 MAPT (0.59) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL13983247 0.81 MAPT (0.49) TDP1L3MBTL1ALDH1A1MAPTTSHR
SCHEMBL16749890 0.81 TDP1 (0.49) TDP1L3MBTL1ALDH1A1MAPTTSHR

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 14 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
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
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
WO-2022180136-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 WO disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
CN-101048386-A Pyrimidine derivatives NOVARTIS AG (CH) 2007-10-03 CN disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO 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-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 TDP1 3673/4885L3MBTL1 4583/4885ALDH1A1 1275/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 TDP1 743/4885L3MBTL1 776/4885ALDH1A1 2662/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS TDP1 269/4885L3MBTL1 4365/4885ALDH1A1 731/4885

“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.