Sugi Predict

Sugi Predict / Compounds / SCHEMBL165527

SCHEMBL165527

SCHEMBL165527

NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 3/20 0.59
▸ FLT1 P17948 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ MAPT P10636 5/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ TXNRD1 Q16881 1/20 0.49
▸ TXNRD3 Q86VQ6 1/20 0.49
▸ TXNRD2 Q9NNW7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL22749354 0.88 HPD (0.47) HPDFLT1FLT4KDRMAPT
SCHEMBL28865598 0.87 AKR1B1 (0.51) HPDFLT1FLT4KDRMAPT
SCHEMBL995599 0.86 HPD (0.54) HPDFLT1FLT4KDRMAPT
SCHEMBL442397 0.85 HPD (0.60) HPDFLT1FLT4KDRMAPT
SCHEMBL5452045 0.85 HPD (0.60) HPDFLT1FLT4KDRMAPT
SCHEMBL4658862 0.84 HPD (0.62) HPDFLT1FLT4KDRMAPT
Ammonia Solution, Strong SCHEMBL28953061 0.84 HPD (0.59) HPDFLT1FLT4KDRMAPT
Hydrochloric Acid SCHEMBL11776053 0.84 HPD (0.59) HPDFLT1FLT4KDRMAPT
SCHEMBL2323726 0.84 HPD (0.59) HPDFLT1FLT4KDRMAPT
SCHEMBL4167623 0.83 FLT1 (0.60) HPDFLT1FLT4KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911342-B Silicon anode material and preparation method thereof, anode and lithium ion battery 江苏中兴派能电池有限公司 2024-11-22 — — CN claimed
CN-115911342-A Silicon negative electrode material, preparation method thereof, negative electrode and lithium ion battery 江苏中兴派能电池有限公司 2023-04-04 — — CN claimed
CN-108191667-B Preparation method of 2-nitro-4-trifluoromethyl methyl benzoate 利尔化学股份有限公司 2021-03-26 — — CN claimed
CN-108191667-A The preparation method of 2- nitro -4- trifluoromethyl benzoic acid methyl esters 利尔化学股份有限公司 2018-06-22 — — CN claimed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US claimed
CN-115911342-B Silicon anode material and preparation method thereof, anode and lithium ion battery 江苏中兴派能电池有限公司 2024-11-22 — — CN disclosed
CN-114907232-B Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile 青岛和兴精细化学有限公司 2024-02-23 — — CN disclosed
CN-115911342-A Silicon negative electrode material, preparation method thereof, negative electrode and lithium ion battery 江苏中兴派能电池有限公司 2023-04-04 — — CN disclosed
CN-114907232-A Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile 青岛和兴精细化学有限公司 2022-08-16 — — CN disclosed
CN-108191667-B Preparation method of 2-nitro-4-trifluoromethyl methyl benzoate 利尔化学股份有限公司 2021-03-26 — — CN disclosed
CN-108191667-B Preparation method of 2-nitro-4-trifluoromethyl methyl benzoate 利尔化学股份有限公司 2021-03-26 — — CN disclosed
CN-108191667-A The preparation method of 2- nitro -4- trifluoromethyl benzoic acid methyl esters 利尔化学股份有限公司 2018-06-22 — — CN disclosed
CN-1890223-A Capsaicin receptor agonists NEUROGEN CORP (US) 2007-01-03 — — CN disclosed
US-20060194805-A1 Capsaicin receptor agonists NEUROGEN CORPORATION (US) 2006-08-31 — — US disclosed
EP-1678149-A2 4-AMINO(AZA)QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2006-07-12 — — EP disclosed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US disclosed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 — — WO disclosed
WO-2005042498-A2 4-AMINO (AZA) QUINOLINE DERIVATIVES AS CAPSAICIN RECEPTOR AGONISTS NEUROGEN CORPORATION (US) 2005-05-12 — — WO disclosed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 — — EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 — — 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-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 HPD 1090/4885FLT1 3644/4885FLT4 4034/4885
US-20060194805-A1 Capsaicin receptor agonists TRPV1, HCAR1, CNR1 HPD 1903/4885FLT1 1802/4885FLT4 2379/4885

“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.