SCHEMBL3148233

SCHEMBL3148233

Nc1nc(CC(=O)NCCc2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.58
MAPT P10636 1/20 0.58
ADRB3 P13945 2/20 0.58
GABRA5 P31644 1/20 0.54
GABRB2 P47870 1/20 0.54
HSD17B10 Q99714 1/20 0.54
EGLN1 Q9GZT9 1/20 0.53
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
HRH2 P25021 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5875866 0.86 ALDH1A1 (0.60) NOS1MAPTADRB3GABRA5GABRB2
SCHEMBL11914560 0.83 ADRB3 (0.78) NOS1ADRB3GABRA5GABRB2HSD17B10
SCHEMBL8148068 0.83 LTA4H (0.58) MAPTTP53KDM4ECA1CA2
Hydrochloric Acid SCHEMBL28729981 0.82 ADRB3 (0.76) NOS1ADRB3GABRA5GABRB2HSD17B10
SCHEMBL16609245 0.79 ADRB3 (0.73) ADRB3ADRB2ADRB1SMN1; SMN2
SCHEMBL4871513 0.78 NOS1 (0.61) NOS1MAPTADRB3GABRA5GABRB2
SCHEMBL28193160 0.78 ADRB3 (0.48) NOS1MAPTADRB3GABRA5GABRB2
SCHEMBL4456667 0.77 ADRB3 (0.69) NOS1MAPTADRB3ADRB2ADRB1
SCHEMBL1769583 0.76 GABRA5 (0.54) MAPTADRB3GABRA5GABRB2HSD17B10
SCHEMBL1769580 0.76 GABRA5 (0.54) MAPTADRB3GABRA5GABRB2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC 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 (2 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 NOS1 1922/4885MAPT 1615/4885ADRB3 3310/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 NOS1 1922/4885MAPT 1615/4885ADRB3 3310/4885

“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.