SCHEMBL4388871

SCHEMBL4388871

COc1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
F10 P00742 1/20 0.47
MMP1 P03956 2/20 0.47

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
SCHEMBL4387495 0.90 KDM4E (0.51) NPSR1KDM4ELMNAALDH1A1HTT
SCHEMBL4386052 0.90 POLB (0.52) NPSR1KDM4ELMNAALDH1A1POLB
SCHEMBL4989358 0.86 KDM4E (0.48) NPSR1KDM4ELMNAALDH1A1POLB
SCHEMBL4393341 0.83 POLB (0.52) NPSR1KDM4ELMNAALDH1A1POLB
SCHEMBL9377286 0.82 SMN1; SMN2 (0.47) NPSR1ALDH1A1TP53HTTCYP2C19
SCHEMBL29816738 0.81 KMT2A (0.49) NPSR1HTTCYP2C19SMN1; SMN2MAPT
SCHEMBL20886535 0.81 KMT2A (0.49) NPSR1HTTCYP2C19SMN1; SMN2MAPT
SCHEMBL19313922 0.81 KMT2A (0.49) NPSR1HTTCYP2C19SMN1; SMN2MAPT
SCHEMBL8290690 0.81 SMN1; SMN2 (0.48) ALDH1A1CYP2C19SMN1; SMN2RAB9A
SCHEMBL15743850 0.81 SMN1; SMN2 (0.48) ALDH1A1CYP2C19SMN1; SMN2RAB9A

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 NPSR1 1746/4885KDM4E 1389/4885LMNA 1290/4885

“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.