Butane

Butane

SCHEMBL6359344

CCCC.Cc1sc2nc(C(C(=O)O)C(=O)O)nc(NCc3ccccn3)c2c1-c1ccc(F)cc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KCNA5 P22460 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PRKCI P41743 1/20 0.40
KCNH2 Q12809 5/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SCN9A Q15858 1/20 0.37
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 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
SCHEMBL2368411 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL2368417 0.89 SMN1; SMN2 (0.37) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL2368544 0.85 KCNA5 (0.44) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL3415627 0.84 ALDH1A1 (0.44) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL3415634 0.83 KDM4E (0.39) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL2369196 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL2369234 0.80 ALDH1A1 (0.50) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL2368976 0.80 KCNH2 (0.48) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL2369248 0.79 KCNA5 (0.45) SMN1; SMN2KCNA5KMT2AMEN1PRKCI
SCHEMBL3384941 0.79 ALDH1A1 (0.38) SMN1; SMN2KMT2AMEN1PRKCIALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 SMN1; SMN2 1520/4885KCNA5 8/4885KMT2A 1857/4885

“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.