SCHEMBL4382901

SCHEMBL4382901

O=C(Nc1ccc2ncsc2c1)C1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.60
KDM1A O60341 1/20 0.59
RCOR1 Q9UKL0 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
GFER P55789 1/20 0.55
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 1/20 0.54
CTRB1 P17538 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PABPC1 P11940 1/20 0.49
GAA P10253 1/20 0.49
PREP P48147 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 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
SCHEMBL13588892 1.00 KDM4E (0.66) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL14364380 0.93 ALDH1A1 (0.64) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL4393334 0.92 KDM4E (0.58) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL4393331 0.92 KDM4E (0.58) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL3011608 0.82 KDM4E (0.86) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL3011603 0.82 KDM4E (0.86) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL3016191 0.82 KDM4E (0.86) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL7265745 0.81 KDM4E (0.78) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL7265734 0.81 KDM4E (0.78) KDM4ELMNAALDH1A1TSHRNPSR1
SCHEMBL4613461 0.81 NPSR1 (0.73) KDM4ELMNAALDH1A1TSHRNPSR1

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 4 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 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 KDM4E 1389/4885LMNA 1290/4885ALDH1A1 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.