SCHEMBL29617721

SCHEMBL29617721

O=[N+]([O-])c1cc(F)cc(Br)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 5/20 0.40
PKM P14618 1/20 0.40
P2RY6 Q15077 1/20 0.40
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.37
CTSB P07858 1/20 0.37
VCAM1 P19320 1/20 0.36
PDE7A Q13946 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2132590 1.00 TDP1 (0.44) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL12066584 0.84 TDP1 (0.52) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL26598264 0.83 ERN1 (0.44) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL631164 0.82 ALDH1A1 (0.63) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL432390 0.82 ALDH1A1 (0.63) TDP1ALDH1A1CYP3A4MAPTMAPK1
SCHEMBL25424202 0.81 ALDH1A1 (0.42) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL18496986 0.80 ATM (0.48) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL429810 0.80 ALDH1A1 (0.47) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL7420765 0.80 TDP1 (0.41) TDP1ATMALDH1A1CYP3A4MAPT
SCHEMBL993946 0.80 CYP1A2 (0.52) TDP1ATMALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
EP-4731626-A1 PI3K INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2026-04-29 EP disclosed
CN-121586717-A Heteroaryl compounds, process for their preparation and their use in medicine 江苏恒瑞医药股份有限公司 2026-02-27 CN disclosed
CN-119923401-A Novel tetraheterocyclic compound 伊迪恩斯股份有限公司 2025-05-02 CN disclosed
CN-119585261-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-03-07 CN disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
WO-2024260464-A1 PI3K INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. (US) 2024-12-26 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
CN-116490508-A KRAS G12D inhibitors 北京加科思新药研发有限公司 2023-07-25 CN disclosed
CN-116283954-A Hydroxamate compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-23 CN disclosed
CN-116323624-A Quinazoline compound and application thereof 上海医药集团股份有限公司 2023-06-23 CN disclosed
US-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 US disclosed
CN-116056766-A Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof 富士胶片株式会社 2023-05-02 CN disclosed
WO-2023046135-A1 POLYCYCLIC FUSED RING DERIVATIVES AND USE THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-03-30 WO disclosed
WO-2022188729-A1 FUSED RING DERIVATIVES USEFUL AS KRAS G12D INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed
WO-2022173678-A1 TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-08-18 WO disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 CN disclosed
WO-2022105857-A1 KRAS G12D INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-05-27 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 (1 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-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF DHRS9, DHODH, CBR1 TDP1 3926/4885ATM 4503/4885ALDH1A1 512/4885

“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.