SCHEMBL3134993

SCHEMBL3134993

Nc1ccc(-c2csc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
CTRB1 P17538 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM1A O60341 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54
ENPP2 Q13822 3/20 0.53
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CNR2 P34972 1/20 0.53
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3148234 1.00 KCNQ1 (0.56) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL13524070 0.94 KCNQ1 (0.58) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL3140343 0.94 KCNQ1 (0.58) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL3139454 0.94 CNR2 (0.59) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL13524287 0.94 CNR2 (0.59) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL3144602 0.92 KCNQ1 (0.55) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL13524280 0.92 KCNQ1 (0.55) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL3144625 0.91 KCNQ1 (0.56) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL13523990 0.91 GFER (0.61) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A
SCHEMBL3133725 0.91 NPSR1 (0.56) KCNQ1SMN1; SMN2CTRB1NPSR1KDM1A

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 11 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-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
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 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 2387/4885SMN1; SMN2 1431/4885CTRB1 1287/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 KCNQ1 2387/4885SMN1; SMN2 1431/4885CTRB1 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.