Sugi Predict

Sugi Predict / Compounds / SCHEMBL18478

SCHEMBL18478

SCHEMBL18478

O=[N+]([O-])c1[c]ccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ GPR35 Q9HC97 2/20 0.42
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37
▸ TDP1 Q9NUW8 8/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL3047388 0.78 GPR35 (0.46) TSHRGPR35TDP1ALDH1A1HSD17B10
SCHEMBL301080 0.78 TDP1 (0.34) TDP1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL9789548 0.78 ALDH1A1 (0.42) TSHRTDP1ALDH1A1HSD17B10CYP3A4
SCHEMBL3888842 0.78 GPR35 (0.50) TSHRGPR35TXNRD1TXNRD3TXNRD2
SCHEMBL2289877 0.78 TSHR (0.50) TSHRGPR35TXNRD1TXNRD3TXNRD2
SCHEMBL301081 0.78 TSHR (0.41) TSHRGPR35TXNRD1TXNRD3TXNRD2
SCHEMBL11049111 0.78 TSHR (0.41) TSHRGPR35TXNRD1TXNRD3TXNRD2
SCHEMBL6676890 0.78 GPR35 (0.52) TSHRGPR35TDP1KMT2AMEN1
SCHEMBL6037871 0.78 TDP1 (0.38) TSHRGPR35TDP1KMT2AMEN1
SCHEMBL9789544 0.78 CYP1A2 (0.36) TSHRGPR35TDP1KMT2AMEN1

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 1564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024102956-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2024-05-16 — — WO claimed
US-20240109870-A1 COVALENT IMMUNE RECRUITER COMPOUNDS FOR IMMUNE CELL RECOGNITION AND ASSOCIATED USES MCMASTER UNIVERSITY (CA) 2024-04-04 — — US claimed
WO-2023205669-A2 DUAL AND TRIPLE HAPTEN CONJUGATES, COMPOSITIONS, PROCESSES FOR MAKING, AND METHODS OF TREATMENT THEREWITH PURDUE RESEARCH FOUNDATION (US) 2023-10-26 — — WO claimed
US-20210393786-A1 SMALL MOLECULE LIGAND-TARGETED DRUG CONJUGATES FOR ANTI-INFLUENZA CHEMOTHERAPY AND IMMUNOTHERAPY PURDUE RESEARCH FOUNDATION 2021-12-23 — — US claimed
US-20210349101-A1 COUMARIN-BASED CROSSLINKING REAGENTS VENTANA MEDICAL SYSTEMS, INC. 2021-11-11 — — US claimed
CN-113423698-A Coumarin-based crosslinking agents 文塔纳医疗系统公司 2021-09-21 — — CN claimed
US-20210276981-A1 COVALENT IMMUNE RECRUITER COMPOUNDS FOR IMMUNE CELL RECOGNITION AND ASSOCIATED USES MCMASTER UNIVERSITY (CA) 2021-09-09 — — US claimed
EP-3853214-A1 COUMARIN-BASED CROSSLINKING REAGENTS Ventana Medical Systems, Inc. (US) 2021-07-28 — — EP claimed
EP-3826681-A1 SMALL MOLECULE LIGAND-TARGETED DRUG CONJUGATES FOR ANTI-INFLUENZA CHEMOTHERAPY AND IMMUNOTHERAPY Purdue Research Foundation (US) 2021-06-02 — — EP claimed
CN-112672762-A Small molecule ligand-targeted drug conjugates for anti-influenza chemotherapy and immunotherapy 普渡研究基金会 2021-04-16 — — CN claimed
US-4468470-A IMMUNOASSAY STICHTING CENTRAAL LABORATORIUM VAN DE BLOEDTRANSFUSIEDIENST VAN HET NEDERLANDSE RODE KRUIS (NL) 1984-08-28 — — US claimed
EP-0113501-A1 Antioxidants for plastics EUROPEAN ATOMIC ENERGY COMMUNITY (EURATOM) (LU) 1984-07-18 — — EP claimed
US-4430326-A Method of diminishing glucose levels resulting from endogenous glucagon UNIVERSITY PATENTS, INC. (US) 1984-02-07 — — US claimed
EP-0064318-A1 A method and a kit for the assay of antibodies to soluble antigens Stichting Centraal Laboratorium van de Bloedtransfusiedienst van het Nederlandse Rode Kruis (NL) 1982-11-10 — — EP claimed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 — — US claimed
US-4172945-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-10-30 — — US claimed
US-4156723-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-29 — — US claimed
US-4138497-A Indanpentol derivatives for treating hypertension E. R. SQUIBB & SONS, INC. (US) 1979-02-06 — — US claimed
US-4053596-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 — — US claimed
US-4029676-A ANTIADRENERGIC, ANTIFIBRILLATORY E. R. SQUIBB & SONS, INC. (US) 1977-06-14 — — US claimed

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-20210393786-A1 SMALL MOLECULE LIGAND-TARGETED DRUG CONJUGATES FOR ANTI-INFLUENZA CHEMOTHERAPY AND IMMUNOTHERAPY HAVCR2, ICOS, PDCD1LG2 TSHR 1954/4885GPR35 1253/4885TXNRD1 2200/4885
US-20210276981-A1 COVALENT IMMUNE RECRUITER COMPOUNDS FOR IMMUNE CELL RECOGNITION AND ASSOCIATED USES CD74, CD4, HLA-A TSHR 1471/4885GPR35 3199/4885TXNRD1 866/4885
US-20240109870-A1 COVALENT IMMUNE RECRUITER COMPOUNDS FOR IMMUNE CELL RECOGNITION AND ASSOCIATED USES CD74, CD4, HLA-A TSHR 1418/4885GPR35 3169/4885TXNRD1 866/4885

“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.