Butane

Butane

SCHEMBL7227124

CCCC.O=C(O)c1cnc2c(F)c(F)ccc2c1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.47
MGAM O43451 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
EGLN1 Q9GZT9 1/20 0.39
HCAR3 P49019 8/20 0.38
MAPT P10636 1/20 0.38
VNN1 O95497 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
SLC22A12 Q96S37 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
SCHEMBL2675814 0.93 PSMD14 (0.53) PSMD14MGAMABCG2EGLN1VNN1
SCHEMBL29940529 0.93 PSMD14 (0.53) PSMD14MGAMABCG2EGLN1VNN1
SCHEMBL7220371 0.81 MAOB (0.48) PSMD14MAPT
SCHEMBL30547697 0.79 PSMD14 (0.54) PSMD14ABCG2VNN1
SCHEMBL7085565 0.79 PSMD14 (0.54) PSMD14ABCG2VNN1
SCHEMBL24358238 0.78 PSMD14 (0.50) PSMD14MGAMHCAR2SLC22A12
SCHEMBL1087851 0.78 PSMD14 (0.64) PSMD14MGAMEGLN1HCAR3MAPT
SCHEMBL31058237 0.78 PSMD14 (0.64) PSMD14MGAMEGLN1HCAR3MAPT
SCHEMBL29007074 0.77 ABCG2 (0.40) PSMD14ABCG2
SCHEMBL18987780 0.77 HTT (0.49) PSMD14MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566362-B2 Use as topical antibiotics AVENTIS PHARMA S.A. (FR) 2003-05-20 US disclosed
US-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2002-09-26 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-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them KCNQ2, KCNQ1, KCNQ4 PSMD14 1607/4885MGAM 3787/4885ABCG2 148/4885

“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.