SCHEMBL4386769

SCHEMBL4386769

O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)C1CCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ENPP2 Q13822 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ RCOR1 Q9UKL0 1/20 0.47
▸ GFER P55789 1/20 0.45
▸ MGLL Q99685 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ F10 P00742 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
SCHEMBL13588851 0.95 NPSR1 (0.58) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL4386504 0.95 NPSR1 (0.58) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL4389357 0.94 NPSR1 (0.55) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL4385641 0.89 ENPP2 (0.48) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL13588972 0.89 ENPP2 (0.48) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL4383075 0.89 NPSR1 (0.59) ALDH1A1TSHRNPSR1KDM4ELMNA
SCHEMBL4383080 0.89 NPSR1 (0.59) ALDH1A1TSHRNPSR1KDM4ELMNA
SCHEMBL13588856 0.88 KDM4E (0.61) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL3138460 0.88 KDM4E (0.61) ALDH1A1TSHRNPSR1ENPP2KDM4E
SCHEMBL4386061 0.87 ENPP2 (0.48) ALDH1A1TSHRNPSR1ENPP2KDM4E

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 7 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-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
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 ALDH1A1 4167/4885TSHR 2230/4885NPSR1 1746/4885

“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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