SCHEMBL2229339

SCHEMBL2229339

O=[N+]([O-])c1ccc(F)cc1OC(F)F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
ATM Q13315 1/20 0.55
HSPB1 P04792 4/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29446158 1.00 TDP1 (0.55) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL7833146 0.87 TDP1 (0.51) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL31540262 0.86 HSPB1 (0.51) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL1038678 0.85 TDP1 (0.53) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL2369197 0.82 TDP1 (0.50) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL8812343 0.82 TDP1 (0.62) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL30137606 0.81 S100A4 (0.39) TDP1ATMALDH1A1MAPTHTT
SCHEMBL11302023 0.81 S100A4 (0.39) TDP1ATMALDH1A1MAPTHTT
SCHEMBL17410994 0.81 MAPK1 (0.53) ALDH1A1MAPTHTTRAB9AGAA
SCHEMBL30679054 0.81 MAPK1 (0.53) ALDH1A1MAPTHTTRAB9AGAA

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
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
US-12258344-B2 Azaaromatic amide derivatives for the treatment of cancer SHENZHEN FORWARD PHARMACEUTICALS CO., LTD. (CN) 2025-03-25 US disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-06 US disclosed
EP-4382511-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-04-04 US disclosed
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 US disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 WO disclosed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 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 (7 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-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, EGFR TDP1 2170/4885ATM 2569/4885HSPB1 2220/4885
US-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 TDP1 3856/4885ATM 3491/4885HSPB1 1404/4885
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR TDP1 1074/4885ATM 1836/4885HSPB1 3602/4885
US-12054784-B2 Prognostic biomarkers for TTK inhibitor chemotherapy TTBK1, CTNNB1, TTK TDP1 1166/4885ATM 304/4885HSPB1 411/4885
US-12258344-B2 Azaaromatic amide derivatives for the treatment of cancer ERBB4, EGFR, ERBB2 TDP1 3430/4885ATM 726/4885HSPB1 1998/4885
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 TDP1 600/4885ATM 132/4885HSPB1 2147/4885
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 TDP1 1123/4885ATM 2272/4885HSPB1 1999/4885

“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.