Sugi Predict

Sugi Predict / Compounds / SCHEMBL986221

SCHEMBL986221

SCHEMBL986221

Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.52
▸ IDO1 P14902 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ CYP3A4 P08684 2/20 0.48
▸ AHR P35869 1/20 0.48
▸ GPR35 Q9HC97 2/20 0.47
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30122384 1.00 TDP1 (0.52) TDP1IDO1ALDH1A1MAPK1HTT
SCHEMBL28247195 0.82 IDO1 (0.39) TDP1IDO1ALDH1A1MAPK1HTT
SCHEMBL987475 0.82 IDO1 (0.53) TDP1IDO1ALDH1A1MAPK1HTT
SCHEMBL9367583 0.82 TDP1 (0.48) TDP1IDO1ALDH1A1MAPK1CYP3A4
SCHEMBL30467812 0.82 TDP1 (0.48) TDP1IDO1ALDH1A1MAPK1CYP3A4
SCHEMBL203312 0.80 INPPL1 (0.46) TDP1ALDH1A1MAPK1CYP3A4AHR
SCHEMBL8078061 0.79 ALDH1A1 (0.53) TDP1IDO1ALDH1A1MAPK1HTT
SCHEMBL1162908 0.78 ALDH1A1 (0.57) TDP1IDO1ALDH1A1CYP3A4AHR
SCHEMBL3840189 0.78 TDP1 (0.41) TDP1IDO1ALDH1A1MAPK1CYP3A4
SCHEMBL203876 0.78 KMT2A (0.50) TDP1IDO1ALDH1A1HTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603132-A Preparation method of 2, 6-di-bitter amino-3, 5-dinitropyridine bulk crystal 山西北化关铝化工有限公司 2024-02-27 — — CN claimed
CN-117567367-A Preparation method of large-particle 2, 6-di-bitter amino-3, 5-dinitropyridine 山西北化关铝化工有限公司 2024-02-20 — — CN claimed
CN-104628637-B A kind of process for purification of 2,6 diaminourea, 3,5 di nitryl pyridine 1 oxide 西安近代化学研究所 2017-03-01 — — CN claimed
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 — — WO disclosed
CN-117924278-A Diamine monomer, polyimide polymer, aromatic polyamide polymer, and preparation method and application thereof 四川大学 2024-04-26 — — CN disclosed
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 — — US disclosed
CN-117603132-A Preparation method of 2, 6-di-bitter amino-3, 5-dinitropyridine bulk crystal 山西北化关铝化工有限公司 2024-02-27 — — CN disclosed
CN-117603132-A Preparation method of 2, 6-di-bitter amino-3, 5-dinitropyridine bulk crystal 山西北化关铝化工有限公司 2024-02-27 — — CN disclosed
CN-117603132-A Preparation method of 2, 6-di-bitter amino-3, 5-dinitropyridine bulk crystal 山西北化关铝化工有限公司 2024-02-27 — — CN disclosed
CN-117567367-A Preparation method of large-particle 2, 6-di-bitter amino-3, 5-dinitropyridine 山西北化关铝化工有限公司 2024-02-20 — — CN disclosed
CN-117567367-A Preparation method of large-particle 2, 6-di-bitter amino-3, 5-dinitropyridine 山西北化关铝化工有限公司 2024-02-20 — — CN disclosed
EP-0640084-A1 6-AMINO SUBSTITUTED IMIDAZO 4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1995-03-01 — — EP disclosed
WO-1993023399-A1 6-AMINO SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed
US-5223499-A Hypotensive agents MERCK & CO., INC. (US) 1993-06-29 — — US disclosed
EP-0503838-A2 Heterocyclic compounds bearing acidic functional groups as angiotensin II antagonists MERCK & CO. INC. (US) 1992-09-16 — — EP disclosed
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 — — US disclosed
US-4022793-A Triamino pyridine compounds HORIZONS RESEARCH INCORPORATED (US) 1977-05-10 — — US disclosed
US-4000146-A STARTING MATERIAL FOR HEAT STABLE ORGANONITROGEN POLYMERS HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) 1976-12-28 — — US disclosed
US-3968116-A HERBICIDE ELI LILLY AND COMPANY (US) 1976-07-06 — — US disclosed
US-3963734-A HERBICIDES, HERBICIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1976-06-15 — — 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 (1 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-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT TDP1 870/4885IDO1 3636/4885ALDH1A1 3726/4885

“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.