SCHEMBL539834

SCHEMBL539834

COC(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
KCNMA1 Q12791 1/20 0.47
LGALS3 P17931 1/20 0.46
LGALS4 P56470 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
VCAM1 P19320 1/20 0.44
MAPT P10636 2/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL5195057 0.88 SLC6A4 (0.49) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL137523 0.87 SIRT6 (0.56) TDP1ATMKCNMA1SIRT6PDGFRB
SCHEMBL31548078 0.87 SIRT6 (0.56) TDP1ATMKCNMA1SIRT6PDGFRB
SCHEMBL29938615 0.86 TDP1 (0.47) TDP1ATMKCNMA1LGALS3LGALS4
SCHEMBL28845796 0.85 ALDH1A1 (0.45) TDP1ATMLGALS3LGALS4SIRT6
SCHEMBL2151631 0.85 TDP1 (0.46) TDP1ATMKCNMA1LGALS3LGALS4
SCHEMBL5191949 0.84 ABCB1 (0.48) KCNMA1SIRT6ALDH1A1SLC6A4SLC6A3
SCHEMBL5192536 0.84 ABCB1 (0.54) TDP1SIRT6PDGFRBFGFR1PDGFRA
SCHEMBL31391703 0.83 MAPT (0.55) TDP1ATMLGALS3LGALS4ALDH1A1
SCHEMBL3092769 0.83 MAPT (0.55) TDP1ATMLGALS3LGALS4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4631573-A2 TEAD INHIBITORS Orion Corporation (FI) 2025-10-15 EP disclosed
EP-4323338-B1 TEAD INHIBITORS ORION CORP (FI) 2025-10-08 EP disclosed
CN-115232108-B SOS1 degradation agent and preparation method and application thereof 领泰生物医药(绍兴)有限公司 2025-04-18 CN disclosed
CN-111699176-B Quinazolinones as PARP14 inhibitors 里邦医疗公司 2025-02-14 CN disclosed
CN-119285605-A Quinazolinone-based LSD1 inhibitors 河南中医药大学 2025-01-10 CN disclosed
US-20240261417-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2024-08-08 US disclosed
US-20240261418-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2024-08-08 US disclosed
US-20240246908-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2024-07-25 US disclosed
CN-114728910-B Pyrazole derivative for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2024-05-14 CN disclosed
US-11958837-B2 Quinazolinones as PARP14 inhibitors RIBON THERAPEUTICS, INC. (US) 2024-04-16 US disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed
US-20040142951-A1 3H-quinazolin-4-one derivatives as MAO-B inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 US disclosed
WO-2004054985-A1 3H-QUINAZOLIN-4-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-01 WO disclosed
US-6573278-B2 For therapy and prophylaxis of cerebral apoplexy and craniocerebral trauma BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20020072529-A1 Arylsulfonamides and analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-06-13 US disclosed
US-6262112-B1 1-(4,4,4-TRIFLUOROBUTYLSULPHONYLOXY)-3-(2-(HYDROXYMETHYL)INDAN -4-YLOXY)-BENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
CN-1253545-A Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2000-05-17 CN 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ TDP1 1423/4885ATM 2862/4885KCNMA1 3125/4885
US-11958837-B2 Quinazolinones as PARP14 inhibitors PARP14, PARP15, PARP11 TDP1 120/4885ATM 722/4885KCNMA1 3465/4885
US-20240261418-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SOS1, RAC1, RSU1 TDP1 3293/4885ATM 4279/4885KCNMA1 4152/4885
US-20240246908-A1 TEAD INHIBITORS TEAD3, TEAD1, TEAD2 TDP1 948/4885ATM 4278/4885KCNMA1 391/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE TDP1 1159/4885ATM 2584/4885KCNMA1 2263/4885
US-20240261417-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RAC1, SOS1, RSU1 TDP1 3099/4885ATM 4336/4885KCNMA1 4206/4885
US-20040142951-A1 3H-quinazolin-4-one derivatives as MAO-B inhibitors MAOB, MAOA, COMT TDP1 535/4885ATM 2493/4885KCNMA1 2913/4885
US-20020072529-A1 Arylsulfonamides and analogues ARSA, PRSS12, SNCA TDP1 377/4885ATM 262/4885KCNMA1 3738/4885

“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.