SCHEMBL3141252

SCHEMBL3141252

O=C(NC1CCCCC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 2/20 0.55
LMNA P02545 3/20 0.51
ENPP2 Q13822 4/20 0.51
CNR2 P34972 1/20 0.50
HSD17B10 Q99714 2/20 0.49
CTRB1 P17538 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL13712989 1.00 KCNQ1 (0.55) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL3132861 0.99 KCNQ1 (0.55) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL13524125 0.99 KCNQ1 (0.55) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL3130471 0.97 KCNQ1 (0.54) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL3130482 0.97 KCNQ1 (0.54) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL13524118 0.97 KCNQ1 (0.54) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL3143613 0.93 KCNQ1 (0.51) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL3133928 0.92 KCNQ1 (0.51) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL13713016 0.92 KCNQ1 (0.51) KCNQ1LMNAENPP2CNR2HSD17B10
SCHEMBL3143596 0.92 ENPP2 (0.53) KCNQ1LMNAENPP2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US claimed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
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 KCNQ1 2387/4885LMNA 1094/4885ENPP2 4131/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 KCNQ1 2387/4885LMNA 1094/4885ENPP2 4131/4885

“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.