Methane

Methane

SCHEMBL7684820

C.CCOc1ccc(C(=O)c2ccc(CC(=O)O)n2Cc2ccccc2)cc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
CXCL8 P10145 1/20 0.43
AKR1B1 P15121 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
GLO1 Q04760 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 3/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
HCRTR1 O43613 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
SCHEMBL7685429 0.99 MAPK1 (0.49) MAPK1PKMKMT2AMEN1LMNA
SCHEMBL11488684 0.86 CXCL8 (0.49) MAPK1KMT2ALMNAL3MBTL1NPC1
SCHEMBL7678957 0.84 MAPK1 (0.47) MAPK1PKMKMT2AMEN1LMNA
SCHEMBL7675533 0.84 AKR1B1 (0.48) KMT2AMEN1LMNASMN1; SMN2MAPT
Methane SCHEMBL7674451 0.83 PTGS2 (0.48) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL7682189 0.82 PTGS2 (0.49) LMNAL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL8726700 0.82 PTGS1 (0.47) MAPK1KMT2AMEN1LMNASMN1; SMN2
Ethane SCHEMBL7676908 0.81 PTGS2 (0.47) MAPK1KMT2AMEN1LMNAL3MBTL1
SCHEMBL7685415 0.81 PTGS2 (0.46) MAPK1KMT2AMEN1LMNAL3MBTL1
SCHEMBL7684815 0.80 MAPK1 (0.48) MAPK1PKMKMT2AMEN1LMNA

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-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A MAPK1 1365/4885PKM 4613/4885KMT2A 514/4885

“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.