Sugi Predict

Sugi Predict / Compounds / SCHEMBL404745

SCHEMBL404745

SCHEMBL404745

N#Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.64
▸ TDP1 Q9NUW8 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MAPT P10636 3/20 0.47
▸ GRIA1 P42261 2/20 0.47
▸ GRIA2 P42262 2/20 0.47
▸ GRIA3 P42263 2/20 0.47
▸ GRIA4 P48058 2/20 0.47
▸ GRM6 O15303 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PDE7A Q13946 1/20 0.43
▸ HSPB1 P04792 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL589140 0.85 TDP1 (0.58) VCAM1TDP1ATMMAPTGRIA1
SCHEMBL3498644 0.83 ATM (0.55) VCAM1TDP1ATMMAPTPDE7A
SCHEMBL11477482 0.81 VCAM1 (0.68) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL25329944 0.81 VCAM1 (0.58) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL8143514 0.79 VCAM1 (0.66) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL82629 0.79 VCAM1 (0.66) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL2330159 0.78 VCAM1 (0.64) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL1343562 0.78 VCAM1 (1.00) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL2418556 0.78 VCAM1 (0.64) VCAM1TDP1MAPTGRIA1GRIA2
SCHEMBL404758 0.78 VCAM1 (0.64) VCAM1TDP1MAPTGRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553534-A A kind of preparation method of 2- nitro -4- methoxy benzoic acid 常州大学 2019-04-02 — — CN claimed
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
US-20240246908-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2024-07-25 — — US disclosed
EP-4323338-A1 TEAD INHIBITORS Orion Corporation (FI) 2024-02-21 — — EP disclosed
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 — — CN disclosed
CN-111187169-B Preparation process of fluorobenzene derivative and benzoic acid hypofluorite derivative 福建永晶科技股份有限公司 2023-05-09 — — CN disclosed
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 — — WO disclosed
CN-111499539-B Aryl cyanide synthesis method using aryl carboxylic acid as raw material 南昌大学 2022-10-11 — — CN disclosed
US-11299445-B2 Process for preparing fluorobenzene derivatives and benzoic acid hypofluorite derivatives FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2022-04-12 — — US disclosed
WO-2004054985-A1 3H-QUINAZOLIN-4-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-01 — — WO disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 — — EP disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 — — US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 — — WO disclosed
WO-2003077857-A2 N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2003-09-25 — — WO disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 — — US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 — — WO disclosed
EP-0534317-B1 Process for the preparation of chlorinated and fluorinated benzene compounds by selective nucleophilic fluorodenitration HOECHST AG (DE) 1995-12-27 — — EP disclosed
US-5237087-A Reacting benzoic acid derivative having chlorine and nitro substituents with potassium fluoride in dipolar aprotic solvent using phase transfer catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-17 — — US disclosed
EP-0534317-A1 Process for the preparation of chlorinated and fluorinated benzene compounds by selective nucleophilic fluorodenitration HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-31 — — EP 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN VCAM1 3004/4885TDP1 2576/4885ATM 4359/4885
US-20240246908-A1 TEAD INHIBITORS TEAD3, TEAD1, TEAD2 VCAM1 3453/4885TDP1 948/4885ATM 4278/4885
US-11299445-B2 Process for preparing fluorobenzene derivatives and benzoic acid hypofluorite derivatives CYP2F1, CYP4F12, CYP4F2 VCAM1 4339/4885TDP1 3957/4885ATM 4109/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 VCAM1 3570/4885TDP1 490/4885ATM 2759/4885

“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.