SCHEMBL13588924

SCHEMBL13588924

O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ TP53 P04637 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ KDM1A O60341 1/20 0.55
▸ RCOR1 Q9UKL0 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GAA P10253 1/20 0.49
▸ CTRB1 P17538 1/20 0.49
▸ F10 P00742 1/20 0.49
▸ FAAH O00519 1/20 0.49
▸ MGLL Q99685 1/20 0.49

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
SCHEMBL4384534 1.00 NPSR1 (0.65) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL13588883 0.92 NPSR1 (0.75) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL4388850 0.92 NPSR1 (0.75) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL4382892 0.89 NPSR1 (0.61) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL4382896 0.89 NPSR1 (0.61) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL11464122 0.88 KDM4E (0.71) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL4392272 0.87 NPSR1 (0.64) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL13588895 0.87 NPSR1 (0.64) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL4385635 0.86 NPSR1 (0.61) NPSR1KDM4ELMNAALDH1A1TSHR
SCHEMBL16485564 0.86 NPSR1 (0.57) NPSR1KDM4ELMNAALDH1A1TSHR

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-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC 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 (1 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L NPSR1 1746/4885KDM4E 1389/4885LMNA 1290/4885

“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.

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