SCHEMBL3130482

SCHEMBL3130482

O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.54
ENPP2 Q13822 4/20 0.52
CTRB1 P17538 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CNR2 P34972 1/20 0.49
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
TP53 P04637 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
SCHEMBL13524118 1.00 KCNQ1 (0.54) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL3130471 1.00 KCNQ1 (0.54) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL13524125 0.98 KCNQ1 (0.55) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL3132861 0.98 KCNQ1 (0.55) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL13712989 0.97 KCNQ1 (0.55) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL3141252 0.97 KCNQ1 (0.55) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL3143596 0.95 ENPP2 (0.53) KCNQ1ENPP2CNR2LMNA
SCHEMBL3143602 0.95 ENPP2 (0.53) KCNQ1ENPP2CNR2LMNA
SCHEMBL3143613 0.95 KCNQ1 (0.51) KCNQ1ENPP2CTRB1HSD17B10NPSR1
SCHEMBL13713016 0.94 KCNQ1 (0.51) KCNQ1ENPP2CTRB1HSD17B10NPSR1

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 10 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
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US 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 2387/4885ENPP2 4131/4885CTRB1 1287/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 KCNQ1 2387/4885ENPP2 4131/4885CTRB1 1287/4885

“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.