SCHEMBL4386397

SCHEMBL4386397

Cc1ccc(C)c(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.84
KMT2A Q03164 2/20 0.81
MEN1 O00255 1/20 0.81
NPSR1 Q6W5P4 3/20 0.70
ALDH1A1 P00352 3/20 0.67
TSHR P16473 3/20 0.67
LMNA P02545 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TP53 P04637 1/20 0.66
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 1/20 0.58
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
MAPK1 P28482 1/20 0.56
CTRB1 P17538 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL4385807 0.92 GFER (0.80) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL13424972 0.90 GFER (0.69) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL12755446 0.85 KDM4E (0.78) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL4391103 0.83 POLB (0.74) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL5754406 0.82 GFER (0.69) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL4382043 0.82 NPSR1 (0.65) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL7265734 0.82 KDM4E (0.78) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL7265745 0.82 KDM4E (0.78) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL10524606 0.82 TSHR (0.72) GFERKMT2AMEN1NPSR1ALDH1A1
SCHEMBL4385648 0.82 TSHR (0.72) GFERKMT2AMEN1NPSR1ALDH1A1

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 GFER 2128/4885KMT2A 2578/4885MEN1 3978/4885

“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.