SCHEMBL95377

SCHEMBL95377

Cc1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
GPR35 Q9HC97 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
KAT2B Q92831 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK1 Q15118 1/20 0.43
SNCA P37840 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
S1PR4 O95977 1/20 0.42

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
SCHEMBL12702257 0.88 TSHR (0.46) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL31238970 0.87 TSHR (0.58) TSHRCYP3A4GPR35ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL27701389 0.86 TSHR (0.56) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL4034840 0.85 TSHR (0.60) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL31672310 0.85 TSHR (0.60) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL68019 0.85 TSHR (0.60) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL7088682 0.85 TSHR (0.64) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL95376 0.83 TSHR (0.62) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL13970849 0.81 TSHR (0.60) TSHRCYP3A4GPR35ALDH1A1MAPT
SCHEMBL12090352 0.81 TSHR (0.60) TSHRCYP3A4GPR35ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835361-A Sialic acid glycosyl donor and preparation method and application thereof 山东大学 2020-02-25 CN claimed
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-116675620-A NO donor compound, preparation method, pharmaceutical composition and application thereof 东南大学 2023-09-01 CN disclosed
WO-2023160344-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 东南大学 2023-08-31 WO disclosed
WO-2023074169-A1 PRIMER LAYER-FORMING COMPOSITION, LAMINATE, AND METHOD FOR DECOMPOSING LAMINATE 日産化学株式会社 2023-05-04 WO disclosed
WO-2023074171-A1 RELEASE LAYER-FORMING COMPOSITION, LAMINATE, AND METHOD FOR MANUFACTURING LAMINATE 日産化学株式会社 2023-05-04 WO disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
EP-0155231-B2 Image-producing process CIBA GEIGY AG (CH) 1997-01-15 EP disclosed
US-5508141-A AQUEOUS ACIDIC PHOTORESIST EMULSION CONTAINING RESIN, POSITIVE-ACTING PHOTOACTIVE FUNCTIONALITY, ACID, OXIDIZING AGENT, SURFACTANT W. R. GRACE & CO.-CONN. (US) 1996-04-16 US disclosed
EP-0468002-A4 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES GRACE W R & CO (US) 1995-08-09 EP disclosed
US-5232815-A Corrosion resistance W. R. GRACE & CO.-CONN. (US) 1993-08-03 US disclosed
EP-0518453-A1 A method of making electrical circuit traces W.R. Grace & Co.-Conn. (US) 1992-12-16 EP disclosed
EP-0468002-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1992-01-29 EP disclosed
WO-1991008840-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1991-06-27 WO disclosed
US-4808682-A BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4632900-A Process for the production of images after electrodeposition of positive photoresist on electrically conductive surface CIBA-GEIGY CORPORATION (US) 1986-12-30 US disclosed
EP-0155231-A2 Image-producing process CIBA-GEIGY AG (CH) 1985-09-18 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 (3 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2668/4885CYP3A4 592/4885GPR35 3785/4885
US-12275686-B2 NO donor compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof HIF1A, NOS1, NOS2 TSHR 4509/4885CYP3A4 287/4885GPR35 1048/4885
US-20240409500-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF HIF1A, NOS1, NOS2 TSHR 4509/4885CYP3A4 287/4885GPR35 1048/4885

“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.