SCHEMBL4381618

SCHEMBL4381618

O=C(Nc1cccc(-c2ccc3c(c2)OCO3)c1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.83
ALDH1A1 P00352 3/20 0.83
USP2 O75604 1/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
KDM1A O60341 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
TP53 P04637 2/20 0.54
KMT2A Q03164 3/20 0.54
GFER P55789 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
FABP7 O15540 1/20 0.51
FABP3 P05413 1/20 0.51
FABP5 Q01469 1/20 0.51

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
SCHEMBL4391278 1.00 TSHR (0.83) TSHRALDH1A1USP2NPSR1HSD17B10
SCHEMBL5753185 0.91 TSHR (1.00) TSHRALDH1A1USP2NPSR1HSD17B10
SCHEMBL4381692 0.89 NPSR1 (0.70) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL13588943 0.89 NPSR1 (0.70) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL4383723 0.86 NPSR1 (0.67) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL4383716 0.86 NPSR1 (0.67) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL4391266 0.86 NPSR1 (0.64) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL4389585 0.86 NPSR1 (0.66) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL4395248 0.86 NPSR1 (0.64) TSHRALDH1A1NPSR1HSD17B10KDM4E
SCHEMBL4387807 0.86 NPSR1 (0.64) TSHRALDH1A1NPSR1HSD17B10KDM4E

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 TSHR 2230/4885ALDH1A1 4167/4885USP2 4245/4885

“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.