Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL5841329

C.O=S(=O)=Cc1cc2ccccc2nc1Br

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ GAA P10253 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL688007 0.79 TDP1 (0.53) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL30511098 0.68 TDP1 (0.63) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL2596089 0.68 TDP1 (0.63) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL28164395 0.65 TDP1 (0.59) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL358560 0.65 TDP1 (0.59) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL28035883 0.65 TDP1 (0.59) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL16535036 0.65 TDP1 (0.59) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL4161475 0.65 TDP1 (1.00) TDP1ALDH1A1MAPTHPGDGLA
SCHEMBL667881 0.65 ALDH1A1 (0.59) TDP1ALDH1A1MAPTHPGDGLA
Acridine SCHEMBL28066271 0.64 ALDH1A1 (0.94) TDP1ALDH1A1MAPTHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009055-B2 such as (methyl-sulfonyl)methyl bromo-quinoline by treatment of dibromomethyl bromo-quinoline with sodium methanesulfinate in solvent; chemical intermediates in production of phosphodiesterase inhibitors MERCK & CO., INC. (US) 2006-03-07 — — US disclosed
US-7009055-B2 such as (methyl-sulfonyl)methyl bromo-quinoline by treatment of dibromomethyl bromo-quinoline with sodium methanesulfinate in solvent; chemical intermediates in production of phosphodiesterase inhibitors MERCK & CO., INC. (US) 2006-03-07 — — US disclosed
US-20040176604-A1 Preparation of sulfonyl quinoline XU FENG (US) 2004-09-09 — — US disclosed
US-20040176604-A1 Preparation of sulfonyl quinoline XU FENG (US) 2004-09-09 — — US disclosed
WO-2003010137-A1 PREPARATION OF SULFONYL QUINOLINE MERCK & CO., INC. (US) 2003-02-06 — — WO disclosed
WO-2003010137-A1 PREPARATION OF SULFONYL QUINOLINE MERCK & CO., INC. (US) 2003-02-06 — — WO 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-20040176604-A1 Preparation of sulfonyl quinoline STS, SULT2A1, BRD7 TDP1 3445/4885ALDH1A1 2511/4885MAPT 4432/4885

“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.