Sugi Predict

Sugi Predict / Compounds / SCHEMBL221284

SCHEMBL221284

SCHEMBL221284

COc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ ATM Q13315 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SIRT6 Q8N6T7 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HSPB1 P04792 3/20 0.47
▸ SNCA P37840 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHEK1 O14757 2/20 0.45
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL29588929 1.00 ALDH1A1 (0.61) ALDH1A1TDP1ATML3MBTL1LMNA
SCHEMBL5495526 0.91 ALDH1A1 (0.51) ALDH1A1TDP1ATML3MBTL1LMNA
SCHEMBL17164751 0.88 TDP1 (0.53) ALDH1A1TDP1ATML3MBTL1LMNA
SCHEMBL29534201 0.88 TDP1 (0.53) ALDH1A1TDP1ATML3MBTL1LMNA
SCHEMBL1340528 0.87 L3MBTL1 (0.71) ALDH1A1TDP1ATML3MBTL1LMNA
SCHEMBL232059 0.85 ALDH1A1 (0.61) ALDH1A1TDP1ATML3MBTL1RAB9A
SCHEMBL8812343 0.85 TDP1 (0.62) ALDH1A1TDP1ATML3MBTL1MAPT
SCHEMBL5857272 0.84 HSPB1 (0.55) ALDH1A1TDP1ATML3MBTL1LMNA
SCHEMBL1341562 0.83 L3MBTL1 (0.55) ALDH1A1TDP1ATML3MBTL1MAPT
SCHEMBL5859842 0.83 ALDH1A1 (0.47) ALDH1A1TDP1ATML3MBTL1LMNA

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 1210 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798098-A Synthesis method of 4-fluoro-2-methoxy-5-nitroaniline 安徽尖峰北卡药业有限公司 2025-04-11 — — CN claimed
CN-118908835-A Preparation method of 2-nitro-5-fluoroanisole 川北医学院 2024-11-08 — — CN claimed
CN-116574455-A High-temperature-resistant flexible polyimide anti-counterfeiting label material and preparation method thereof 安徽融优新材料科技有限公司 2023-08-11 — — CN claimed
CN-112341406-B Synthesis method of trans-4- [4- (3-methoxy-4-nitrophenyl) -1-piperazinyl ] adamantane-1-ol 韶远科技（上海)有限公司 2023-02-10 — — CN claimed
CN-115521309-A Iruaoke impurity and preparation method thereof 思科(深圳)药物研发有限公司 2022-12-27 — — CN claimed
CN-111138492-B Preparation method of ALK inhibitor brigatinib 沈阳药科大学 2022-08-02 — — CN claimed
WO-2022105046-A1 SYNTHESIS METHOD OF TRANS-4-[4-(3-METHOXY-4-NITROPHENYL)-1-PIPERAZINYL]ADAMANTANE-1-OL 韶远科技（上海)有限公司 2022-05-27 — — WO claimed
CN-111233834-B FAK-targeting compound and markers thereof, and preparation methods and applications of FAK-targeting compound and markers 北京师范大学 2021-08-31 — — CN claimed
CN-112409192-A Purification method of 4-fluoro-2-methoxyaniline 启东东岳药业有限公司 2021-02-26 — — CN claimed
CN-112341406-A Synthesis method of trans-4- [4- (3-methoxy-4-nitrophenyl) -1-piperazinyl ] adamantane-1-ol 韶远科技（上海)有限公司 2021-02-09 — — CN claimed
CN-111233834-A FAK-targeting compound and markers thereof, and preparation methods and applications of FAK-targeting compound and markers 北京师范大学 2020-06-05 — — CN claimed
CN-111138492-A Preparation method of ALK inhibitor brigatinib 沈阳药科大学 2020-05-12 — — CN claimed
CN-106083536-B A kind of preparation method of Ansai Qu key intermediate 浙江永太科技股份有限公司 2018-10-30 — — CN claimed
CN-106083536-A A kind of preparation method of the bent key intermediate in Ansai 浙江永太科技股份有限公司 2016-11-09 — — CN claimed
CN-104844580-A Miazines compound, preparation method and medical application thereof UNIV CHINA PHARMA 2015-08-19 — — CN claimed
CN-101423463-B Synthetic method of meta-hydroxyl/methoxyl polybrominated diphenyl ethers UNIV SHANGHAI 2012-01-18 — — CN claimed
CN-101423463-A Synthetic method of meta-hydroxyl/methoxyl polybrominated diphenyl ethers UNIV SHANGHAI (CN) 2009-05-06 — — CN claimed
US-20260137703-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 TECH LIMITED (GB) 2026-05-21 — — US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 — — US disclosed
US-4039588-A ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED ROHM AND HAAS COMPANY (US) 1977-08-02 — — US 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-20260137703-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 EGFR, KRAS, O60361 ALDH1A1 999/4885TDP1 1531/4885ATM 1239/4885

“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.