SCHEMBL29785367

SCHEMBL29785367

COc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 3/20 0.41
HSPB1 P04792 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 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
SCHEMBL12491675 1.00 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL310903 0.93 MAPT (0.45) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL30936777 0.89 MAPT (0.39) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29934878 0.86 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL4306952 0.86 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4ECYP3A4
Potassium Ion SCHEMBL7698227 0.86 MAPT (0.40) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL29661436 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL517768 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL31757016 0.84 ALDH1A1 (0.51) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL4103425 0.84 MAPT (0.49) ALDH1A1TDP1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024259216-A1 QUINOXALINE DERIVED SULFONAMIDES WITH EGFR DEGRADATION ACTIVITIES AND THEIR USES THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-12-19 WO disclosed
WO-2024238566-A2 PROCESS FOR MANUFACTURING 6-PERFLUOROPHENYL BENZOXAZINONES ENKO CHEM, INC. (US) 2024-11-21 WO disclosed
EP-4462999-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS Enko Chem, Inc. (US) 2024-11-20 EP disclosed
EP-4402133-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS Enko Chem, Inc. (US) 2024-07-24 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
WO-2023137307-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS ENKO CHEM, INC. (US) 2023-07-20 WO disclosed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 EP disclosed
WO-2023044364-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS ENKO CHEM, INC. (US) 2023-03-23 WO disclosed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO disclosed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN disclosed
WO-2022194269-A1 NOVEL EGFR DEGRADATION AGENT 上海齐鲁制药研究中心有限公司 2022-09-22 WO disclosed
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 EP disclosed
WO-2022170164-A1 SULFONAMIDES WITH EGFR INHIBITION ACTIVITIES AND THEIR USE THEREOF ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 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 (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-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 ALDH1A1 1742/4885TDP1 1031/4885MAPT 2939/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 3822/4885TDP1 4189/4885MAPT 2177/4885

“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.