SCHEMBL3139893

SCHEMBL3139893

O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCC(=O)N3C(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
SCD O00767 1/20 0.43
LMNA P02545 2/20 0.43
KCNQ1 P51787 1/20 0.42
ELOVL1 Q9BW60 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3139885 1.00 ENPP2 (0.49) ENPP2MEN1KMT2AHPGDSCD
SCHEMBL3143596 0.86 ENPP2 (0.53) ENPP2SCDLMNAKCNQ1
SCHEMBL3143602 0.86 ENPP2 (0.53) ENPP2SCDLMNAKCNQ1
SCHEMBL3832416 0.86 ENPP2 (0.48) ENPP2MEN1KMT2ASCDLMNA
SCHEMBL3829875 0.86 ENPP2 (0.48) ENPP2MEN1KMT2ASCDLMNA
SCHEMBL3140333 0.85 ENPP2 (0.47) ENPP2MEN1KMT2AHPGDLMNA
SCHEMBL13713026 0.85 ENPP2 (0.47) ENPP2MEN1KMT2AHPGDLMNA
SCHEMBL13524118 0.85 KCNQ1 (0.54) ENPP2LMNAKCNQ1KDM4EALDH1A1
SCHEMBL3130471 0.85 KCNQ1 (0.54) ENPP2LMNAKCNQ1KDM4EALDH1A1
SCHEMBL3130482 0.85 KCNQ1 (0.54) ENPP2LMNAKCNQ1KDM4EALDH1A1

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 4131/4885MEN1 3838/4885KMT2A 2419/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ENPP2 4131/4885MEN1 3838/4885KMT2A 2419/4885

“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.