Sugi Predict

Sugi Predict / Compounds / SCHEMBL204755

SCHEMBL204755

SCHEMBL204755

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ HPGD P15428 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ TXNRD1 Q16881 1/20 0.51
▸ TXNRD3 Q86VQ6 1/20 0.51
▸ TXNRD2 Q9NNW7 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPK1 P28482 2/20 0.48
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPD P32754 2/20 0.45
▸ MASP2 O00187 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1094913 0.87 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL28731138 0.87 ALDH1A1 (0.45) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL30849251 0.86 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL17802484 0.86 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL15561143 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL16859670 0.85 ALDH1A1 (0.50) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL12071658 0.83 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TDP1
SCHEMBL2076929 0.82 ALDH1A1 (0.47) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL28629804 0.81 MAPT (0.48) ALDH1A1HPGDCYP3A4ALOX15TSHR
SCHEMBL29942185 0.80 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438282-B Preparation method of 2-nitro-4-trifluoromethyl benzonitrile 大连奇凯医药科技有限公司 2021-09-07 — — CN claimed
CN-109438282-A The preparation method of 2- nitro -4- trifluoromethylbenzonitrile 大连奇凯医药科技有限公司 2019-03-08 — — CN claimed
EP-1725102-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-04-29 — — EP claimed
EP-1725102-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 — — EP claimed
WO-2005092099-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-10-06 — — WO claimed
WO-2026103738-A1 BRIDGED CYCLIC 5-AMINO-6, 8-DIHYDRO-1H-FURO [3, 4-D] PYRROLO [3, 2-B] PYRIDINE-2-CARBOXAMIDE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEONE PHARMACEUTICAL (SUZHOU) CO., LTD. (CN) 2026-05-21 — — WO disclosed
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith BEONE MEDICINES I GMBH (CH) 2026-05-14 — — US disclosed
CN-115850082-B Preparation method of 2-nitro-4-trifluoromethyl benzoic acid 内蒙古蓝科生物科技有限公司 2025-05-06 — — CN disclosed
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
CN-119585247-A Bicyclic heterocyclic amide inhibitors of nav1.8 for the treatment of pain 赛特温治疗公司 2025-03-07 — — CN disclosed
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 — — EP disclosed
CN-115611894-B Nitrogen-containing spiro compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 心远(广州)药物研究有限公司 2024-07-02 — — CN disclosed
WO-2005111039-A2 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 — — WO disclosed
US-20050256102-A1 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-17 — — US disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 — — US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 — — US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 — — US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 — — US disclosed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 — — EP disclosed
EP-0487357-A1 4 Benzoyl isoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1992-05-27 — — 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 (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-20050256102-A1 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB ALDH1A1 3815/4885HPGD 3965/4885CYP3A4 4201/4885
US-20260132149-A1 Bridged Cyclic 5-Amino-6,8-Dihydro-1H-Furo[3,4-D]Pyrrolo[3,2-B]Pyridine-2-Carboxamide Compounds, Compositions Thereof, and Methods of Treatment Therewith MECP2, PRMT5, DNMT1 ALDH1A1 3924/4885HPGD 2274/4885CYP3A4 3840/4885

“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.