SCHEMBL3143602

SCHEMBL3143602

O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCN3C(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.53
KCNQ1 P51787 1/20 0.49
SCD O00767 1/20 0.48
PHGDH O43175 4/20 0.46
ADORA3 P0DMS8 1/20 0.45
LMNA P02545 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL3143596 1.00 ENPP2 (0.53) ENPP2KCNQ1SCDPHGDHADORA3
SCHEMBL13524118 0.95 KCNQ1 (0.54) ENPP2KCNQ1LMNACNR2
SCHEMBL3130471 0.95 KCNQ1 (0.54) ENPP2KCNQ1LMNACNR2
SCHEMBL3130482 0.95 KCNQ1 (0.54) ENPP2KCNQ1LMNACNR2
SCHEMBL13524125 0.93 KCNQ1 (0.55) ENPP2KCNQ1LMNACNR2
SCHEMBL3132861 0.93 KCNQ1 (0.55) ENPP2KCNQ1LMNACNR2
SCHEMBL13712989 0.92 KCNQ1 (0.55) ENPP2KCNQ1LMNACNR2
SCHEMBL3141252 0.92 KCNQ1 (0.55) ENPP2KCNQ1LMNACNR2
SCHEMBL3143613 0.90 KCNQ1 (0.51) ENPP2KCNQ1LMNACNR2
SCHEMBL3139390 0.90 ENPP2 (0.49) ENPP2KCNQ1SCDPHGDHADORA3

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 ENPP2 4131/4885KCNQ1 2387/4885SCD 4431/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ENPP2 4131/4885KCNQ1 2387/4885SCD 4431/4885

“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.