SCHEMBL4393877

SCHEMBL4393877

[CH2]c1nc2cc(C(C)(C)C)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 9/20 0.45
KCNH2 Q12809 1/20 0.45
KIF11 P52732 4/20 0.42
HDAC6 Q9UBN7 1/20 0.41
METAP2 P50579 1/20 0.39
CSNK1D P48730 2/20 0.37
FGFR1 P11362 1/20 0.37
FLT3 P36888 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CSNK1A1 P48729 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37

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
SCHEMBL18628731 0.82 NPBWR1 (0.43) SCN10AKCNH2KIF11METAP2
SCHEMBL846855 0.80 SCN10A (0.58) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL4393880 0.80 MAPT (0.50) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL5015652 0.79 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL13619366 0.79 FABP6 (0.50) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL18931745 0.79 SCN10A (0.45) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL20457549 0.76 SCN10A (0.54) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL16204637 0.76 CSNK1D (0.45) SCN10AKCNH2KIF11HDAC6METAP2
SCHEMBL3265253 0.76 HSD17B10 (0.54) SCN10AKCNH2KIF11HDAC6
SCHEMBL3265305 0.76 DDAH1 (0.54) SCN10AKCNH2KIF11HDAC6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L SCN10A 3340/4885KCNH2 1671/4885KIF11 3696/4885

“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.