SCHEMBL4388537

SCHEMBL4388537

COc1ccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.52
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 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
SCHEMBL12230365 0.90 POLB (0.80) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL4386483 0.88 POLB (0.73) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL4383169 0.88 POLB (0.76) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL9728237 0.87 POLB (0.59) POLBNPSR1MEN1KMT2ALMNA
SCHEMBL845132 0.87 POLB (0.72) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL844848 0.87 POLB (0.72) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL845357 0.87 POLB (0.72) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL4388887 0.84 POLB (0.65) POLBNPSR1MEN1KMT2AKDM4E
SCHEMBL7806845 0.82 POLB (0.52) POLBNPSR1ALDH1A1TP53MMP1
SCHEMBL9640550 0.82 POLB (0.69) POLBNPSR1MEN1KMT2AKDM4E

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 POLB 1382/4885NPSR1 1746/4885MEN1 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.