Methane

Methane

SCHEMBL5028074

C.O=C(OO)c1ccccc1I

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.51
PTPN1 P18031 2/20 0.51
PTPRF P10586 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.38
TSHR P16473 4/20 0.38
CTNNB1 P35222 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL1700866 0.98 PTPN2 (0.53) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL11639330 0.82 PTPN2 (0.55) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL7651758 0.82 PTPN2 (0.55) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL6936 0.81 TSHR (0.52) TDP1NPC1TSHRCTNNB1ALDH1A1
SCHEMBL29709946 0.81 TSHR (0.52) TDP1NPC1TSHRCTNNB1ALDH1A1
SCHEMBL18458054 0.80 PTPN2 (0.53) PTPN2PTPN1PTPRFMEN1KMT2A
SCHEMBL11879146 0.79 TSHR (0.50) TDP1NPC1TSHRCTNNB1ALDH1A1
Water SCHEMBL5320760 0.79 TSHR (0.50) TDP1NPC1TSHRCTNNB1ALDH1A1
Ammonia Solution, Strong SCHEMBL28928632 0.79 TSHR (0.50) TDP1NPC1TSHRCTNNB1ALDH1A1
SCHEMBL5973872 0.78 PTPN2 (0.51) PTPN2PTPN1PTPRFMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 EP disclosed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 US disclosed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 US disclosed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 EP disclosed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US disclosed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 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 (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-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PTPN2 4833/4885PTPN1 4842/4885PTPRF 4091/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PTPN2 4833/4885PTPN1 4842/4885PTPRF 4091/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PTPN2 4833/4885PTPN1 4842/4885PTPRF 4091/4885

“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.