SCHEMBL4387848

SCHEMBL4387848

O=C(Nc1cccc(-c2ccc3cc(O)ccc3c2)c1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.64
ALDH1A1 P00352 3/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
GFER P55789 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM1A O60341 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.51
CTRB1 P17538 1/20 0.51
CTSK P43235 1/20 0.49
KLK7 P49862 1/20 0.49
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47

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
SCHEMBL4387845 1.00 NPSR1 (0.64) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4389580 0.95 NPSR1 (0.66) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4389585 0.95 NPSR1 (0.66) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4383723 0.92 NPSR1 (0.67) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4383716 0.92 NPSR1 (0.67) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL13588943 0.91 NPSR1 (0.70) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4381692 0.91 NPSR1 (0.70) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4391529 0.88 NPSR1 (0.75) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL13588890 0.88 NPSR1 (0.75) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL4395248 0.87 NPSR1 (0.64) NPSR1ALDH1A1TSHRKDM4ELMNA

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 claimed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP 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 1746/4885ALDH1A1 4167/4885TSHR 2230/4885

“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.