Sugi Predict

Sugi Predict / Compounds / SCHEMBL752293

SCHEMBL752293

SCHEMBL752293

O=[N+]([O-])c1cc(Br)ccc1CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ SNCA P37840 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL1241970 0.87 S100A4 (0.44) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL16951743 0.85 ALDH1A1 (0.43) S100A4TRPV1SNCAMAPK1PKM
SCHEMBL31164660 0.85 ALDH1A1 (0.43) S100A4TRPV1SNCAMAPK1PKM
SCHEMBL14756219 0.85 TSHR (0.56) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL559763 0.83 PDK1 (0.51) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL29561732 0.83 S100A4 (0.46) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL1199050 0.83 S100A4 (0.46) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL29291499 0.81 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL31272132 0.81 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAMAPK1
SCHEMBL961045 0.81 S100A4 (0.45) S100A4TRPV1CYP1A2SNCAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834189-A Light-induced fluorescence excitation probe, indazolone compound, and preparation methods and applications thereof 国科大杭州高等研究院 2024-10-25 — — CN claimed
WO-2025106637-A1 CINNOLINE DERIVATIVES USEFUL AS BAF MODULATORS FOGHORN THERAPEUTICS INC. (US) 2025-05-22 — — WO disclosed
US-12275686-B2 NO donor compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof SOUTHEAST UNIVERSITY (CN) 2025-04-15 — — US disclosed
CN-116675620-B NO donor compound, preparation method, pharmaceutical composition and application thereof 东南大学 2025-01-10 — — CN disclosed
EP-4484409-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Southeast University (CN) 2025-01-01 — — EP disclosed
US-20240409500-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SOUTHEAST UNIVERSITY (CN) 2024-12-12 — — US disclosed
CN-118834189-A Light-induced fluorescence excitation probe, indazolone compound, and preparation methods and applications thereof 国科大杭州高等研究院 2024-10-25 — — CN disclosed
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2024-08-01 — — US disclosed
CN-118103209-A Composition for forming release layer, laminate, and method for producing laminate 日产化学株式会社 2024-05-28 — — CN disclosed
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 — — US disclosed
CN-101454294-A Quinazolines for pdk1 inhibition NOVARTIS AG (CH) 2009-06-10 — — CN disclosed
CN-101379044-A Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2009-03-04 — — CN disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 — — EP disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 — — EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 — — WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 — — WO disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 — — WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 — — US disclosed
CN-1305862-C 7-amino-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2007-03-21 — — CN disclosed
CN-1604897-A 7-amino-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2005-04-06 — — CN 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 (5 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-12275686-B2 NO donor compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof HIF1A, NOS1, NOS2 S100A4 4216/4885TRPV1 1252/4885CYP1A2 362/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 S100A4 1758/4885TRPV1 1942/4885CYP1A2 1983/4885
US-20240409500-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF HIF1A, NOS1, NOS2 S100A4 4216/4885TRPV1 1252/4885CYP1A2 362/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 S100A4 1758/4885TRPV1 1942/4885CYP1A2 1983/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 S100A4 3102/4885TRPV1 2824/4885CYP1A2 357/4885

“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.