Methane

Methane

SCHEMBL4623788

C.C=CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.82
ALDH1A1 P00352 5/20 0.57
POLB P06746 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA2 P00918 1/20 0.50
MEN1 O00255 1/20 0.50
CRHBP P24387 1/20 0.50
MAPK1 P28482 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL31377051 0.98 CASP3 (0.85) CASP3ALDH1A1POLBRXFP1NPSR1
SCHEMBL170913 0.98 CASP3 (0.85) CASP3ALDH1A1POLBRXFP1NPSR1
SCHEMBL13442855 0.90 CASP3 (1.00) CASP3ALDH1A1POLBRXFP1NPSR1
Allylamine SCHEMBL27596859 0.90 CASP3 (0.74) CASP3ALDH1A1POLBRXFP1NPSR1
SCHEMBL6399894 0.86 CASP3 (0.69) CASP3ALDH1A1POLBRXFP1NPSR1
SCHEMBL2539263 0.81 ALDH1A1 (0.63) CASP3ALDH1A1POLBRXFP1NPSR1
SCHEMBL18342255 0.81 CASP3 (0.61) CASP3ALDH1A1POLBNPSR1KMT2A
SCHEMBL26361660 0.81 ALDH1A1 (0.63) CASP3ALDH1A1POLBRXFP1KMT2A
SCHEMBL12439958 0.81 CASP3 (0.61) CASP3ALDH1A1POLBRXFP1NPSR1
SCHEMBL4476083 0.80 CASP3 (0.60) CASP3ALDH1A1CA12CA9GLS

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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US claimed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO claimed
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide ACMSD, CPS1, BCAT2 CASP3 423/4885ALDH1A1 104/4885POLB 3034/4885

“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.