SCHEMBL4385648

SCHEMBL4385648

COC(=O)c1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
TP53 P04637 1/20 0.68
GFER P55789 1/20 0.68
NPSR1 Q6W5P4 1/20 0.67
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
HSD17B10 Q99714 1/20 0.60
KDM1A O60341 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
CTRB1 P17538 1/20 0.57
PREP P48147 1/20 0.57
CTSK P43235 1/20 0.55
KLK7 P49862 1/20 0.55
PRCP P42785 1/20 0.55

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
SCHEMBL10524606 1.00 TSHR (0.72) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL206380 0.93 TSHR (0.66) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL17175755 0.85 TSHR (0.71) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4397505 0.84 KDM4E (0.74) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL7265734 0.83 KDM4E (0.78) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL7265745 0.83 KDM4E (0.78) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL26477642 0.82 NPSR1 (0.68) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL8428146 0.82 NPSR1 (0.68) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL8426716 0.82 NPSR1 (0.68) TSHRL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL4386397 0.82 GFER (0.84) TSHRL3MBTL1ALDH1A1KMT2AMEN1

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
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO 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 2230/4885L3MBTL1 505/4885ALDH1A1 4167/4885

“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.