Methane

Methane

SCHEMBL3555245

C.Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
NOS3 P29474 2/20 0.47
NOS2 P35228 2/20 0.47
BACE1 P56817 1/20 0.46
NPBWR1 P48145 2/20 0.45
PTGS1 P23219 1/20 0.44
PIK3CD O00329 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
KIF11 P52732 2/20 0.41
GCK P35557 3/20 0.41
GCKR Q14397 3/20 0.41
FEN1 P39748 2/20 0.41
ALOX5AP P20292 1/20 0.41
EGFR P00533 1/20 0.40
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL29441491 0.98 KMT2A (0.52) KMT2ANOS3NOS2BACE1NPBWR1
SCHEMBL177728 0.98 KMT2A (0.52) KMT2ANOS3NOS2BACE1NPBWR1
Hydrochloric Acid SCHEMBL1865537 0.95 KMT2A (0.50) KMT2ANOS3NOS2BACE1NPBWR1
Ammonia Solution, Strong SCHEMBL27669845 0.95 KMT2A (0.50) KMT2ANOS3NOS2BACE1NPBWR1
Formic Acid SCHEMBL31490995 0.86 KMT2A (0.51) KMT2ANOS3NOS2BACE1NPBWR1
Trifluoroacetic Acid SCHEMBL30699793 0.85 KMT2A (0.54) KMT2APTGS1ALDH1A1GCKGCKR
SCHEMBL312533 0.81 NPBWR1 (0.60) NPBWR1PIK3CDKIF11GCKGCKR
SCHEMBL9953539 0.80 GCK (0.43) KMT2ANOS3NOS2BACE1NPBWR1
SCHEMBL11629001 0.80 PIK3CD (0.42) KMT2ANOS3NOS2BACE1NPBWR1
SCHEMBL29127263 0.80 GCK (0.47) KMT2ANOS3NOS2NPBWR1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795457-B2 antitumor agents; anticancer agents; structurally related to the leptomycin family; Leptolstatin KOSAN BIOSCIENCES INCORPORATED (US) 2010-09-14 US disclosed
EP-2124927-A2 CARBAMATE COMPOUNDS Kosan Biosciences Incorporated (US) 2009-12-02 EP disclosed
US-20080214617-A1 Carbamate compounds KOSAN BIOSCIENCES INCORPORATED 2008-09-04 US disclosed
WO-2008106047-A2 CARBAMATE COMPOUNDS KOSAN BIOSCIENCES INCORPORATED (US) 2008-09-04 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-20080214617-A1 Carbamate compounds CPS1, RB1, PRMT1 KMT2A 610/4885NOS3 309/4885NOS2 430/4885

“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.