Sugi Predict

Sugi Predict / Compounds / SCHEMBL2747530

SCHEMBL2747530

SCHEMBL2747530

COc1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ KMT2A Q03164 6/20 0.59
▸ MAPT P10636 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 4/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PDK1 Q15118 1/20 0.52
▸ TTR P02766 1/20 0.52

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
SCHEMBL5740018 0.94 TTR (0.61) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL29682640 0.87 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL22698 0.87 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL3824914 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2156946 0.87 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL30825381 0.85 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL4337680 0.85 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL176357 0.85 TTR (0.68) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL13461422 0.84 PDK1 (0.50) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL5518774 0.84 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621437-B Compound for preparing photosensitive resin film, preparation method and application thereof 吉林奥来德光电材料股份有限公司 2023-08-18 — — CN disclosed
CN-107011266-B Prodrug of benzimidazole derivative, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-14 — — CN disclosed
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. 2022-12-15 — — US disclosed
CN-114621437-A Compound for preparing photosensitive resin film, preparation method and application thereof 吉林奥来德光电材料股份有限公司 2022-06-14 — — CN disclosed
CN-111604021-B Oxidation reaction system for preparing red-based KD and control method thereof 舟山欧莱克新材料科技有限公司 2022-04-08 — — CN disclosed
WO-2021226129-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. (US) 2021-11-11 — — WO disclosed
CN-111604021-A Oxidation reaction system for preparing red-based KD and control method thereof 舟山欧莱克新材料科技有限公司 2020-09-01 — — CN disclosed
CN-111606910-A Synthesis process of antitumor drug Sapanisiertib 药璞(上海)医药科技有限公司 2020-09-01 — — CN disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 — — US disclosed
US-9688637-B2 3-amidobenzamides and uses thereof for increasing cellular levels of A3G and other A3 family members NORTHWESTERN UNIVERSTIY (US) 2017-06-27 — — US disclosed
US-4992360-A Silver halide light-sensitive photographic material containing a novel yellow coupler KONICA CORPORATION (JP) 1991-02-12 — — US disclosed
EP-0267491-A2 Silver halide light-sensitive photographic material containing a novel yellow coupler KONICA CORPORATION (JP) 1988-05-18 — — EP disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 — — US disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 — — US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 — — EP disclosed
US-4125368-A Metallized monoazo dyes TOMS RIVER CHEMICAL CORP. (US) 1978-11-14 — — US disclosed
US-4058515-A Metallized phenyl-azo-naphthol compounds TOMS RIVER CHEMICAL CORPORATION (US) 1977-11-15 — — US disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US disclosed
US-4051122-A Disazo pigments containing tetracarboxylic acid ester groups CIBA-GEIGY CORPORATION (US) 1977-09-27 — — US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 — — 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 (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-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF IRF3, IRF2BP2, STAT1 ALDH1A1 4853/4885TDP1 1011/4885CYP3A4 4733/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 ALDH1A1 277/4885TDP1 4346/4885CYP3A4 113/4885

“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.