SCHEMBL4393356

SCHEMBL4393356

Nc1ncnc2ccc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
KDM1A O60341 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.52
CTRB1 P17538 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL6092021 1.00 TSHR (0.62) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL6092150 0.89 TSHR (0.63) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL4389654 0.89 TSHR (0.63) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL6093993 0.84 MAP4K4 (0.53) ALDH1A1NPSR1
SCHEMBL4971281 0.83 MAP4K4 (0.51) NPSR1KMT2ARAB9A
SCHEMBL13588911 0.82 NPSR1 (0.57) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL4389312 0.82 NPSR1 (0.57) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL13230392 0.81 KDM1A (0.75) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL4382901 0.81 KDM4E (0.66) TSHRALDH1A1KDM4ELMNANPSR1
SCHEMBL13588892 0.81 KDM4E (0.66) TSHRALDH1A1KDM4ELMNANPSR1

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 2230/4885ALDH1A1 4167/4885KDM4E 1389/4885

“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.