Sugi Predict

Sugi Predict / Compounds / SCHEMBL6772047

SCHEMBL6772047

SCHEMBL6772047

COc1ccc(N)c(S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ F2 P00734 2/20 0.46
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 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
SCHEMBL6534688 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL11589602 0.80 KMT2A (0.79) KMT2AMEN1F2PRSS1PRSS2
2-Nitroaniline SCHEMBL5767629 0.77 ALDH1A1 (0.54) KMT2AMEN1CYP19A1ALDH1A1HPGD
SCHEMBL11566827 0.76 KMT2A (1.00) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL30446303 0.76 KMT2A (1.00) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL2039879 0.76 KMT2A (1.00) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL28702767 0.76 HTR6 (0.56) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL27774544 0.75 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL204041 0.75 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL23932907 0.74 VCAM1 (0.49) KMT2AMEN1CYP19A1ALDH1A1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750343-B2 REACTING A 5- AND 6- HALOMETHYL QUINOXALINE WITH A WATER-SOLUBLE NUCLEOPHILE, DEHALOGENATION, DECHLORINATION, DEBROMINATION, HYDROXYLATION; CHEMICAL INTERMEDIATES FOR PHARMACEUTICAL COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2004-06-15 — — US disclosed
US-20030166934-A1 Methods for preparing 5- and 6-benzyl-functionalized quinoxalines BURDENIUC JUAN JESUS (US) 2003-09-04 — — US disclosed
US-20030158411-A1 Methods for preparing 5- and 6-benzyl-functionalized quinoxalines BURDENIUC JUAN JESUS (US) 2003-08-21 — — US disclosed
US-6548670-B1 Reacting chloro(or bromo)alkylquinoxaline with nucleophilic compound in presence of phase transfer catalyst to make hydroxyalkylquinoxaline; debromination, dechlorination, hydroxylation AIR PRODUCTS AND CHEMICALS, INC. 2003-04-15 — — US disclosed
EP-1279668-A1 Methods for preparing 5- and 6-benzyl functionalized quinoxalines AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-29 — — 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 (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-20030166934-A1 Methods for preparing 5- and 6-benzyl-functionalized quinoxalines NUDT1, ALKBH5, INMT KMT2A 682/4885MEN1 3900/4885F2 1399/4885
US-20030158411-A1 Methods for preparing 5- and 6-benzyl-functionalized quinoxalines NUDT1, ALKBH5, INMT KMT2A 682/4885MEN1 3900/4885F2 1399/4885

“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.