Ethane

Ethane

SCHEMBL3302283

CC.CCCN(CCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
ATM Q13315 1/20 0.52
TLR9 Q9NR96 1/20 0.52
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KCNH2 Q12809 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL5692166 0.98 MAPT (0.62) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13292848 0.91 MAPT (0.58) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2759072 0.90 MAPT (0.54) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9362623 0.89 PTGS2 (0.55) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL29671343 0.89 MAPT (0.55) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9362626 0.89 PTGS2 (0.55) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5835749 0.87 MAPT (0.73) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3691462 0.84 MAPT (0.64) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3979891 0.84 MAPT (0.64) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9847265 0.83 MAPT (0.58) MAPTALDH1A1MEN1KMT2AKCNH2

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-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 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-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 MAPT 4339/4885ALDH1A1 2513/4885L3MBTL1 3789/4885

“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.