SCHEMBL5880894

SCHEMBL5880894

COc1ccc(CCC2(C3CCCC3)CC(=O)C(=[N+]=[N-])C(=O)O2)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
F2 P00734 1/20 0.37
TSHR P16473 4/20 0.36
CA2 P00918 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
OXTR P30559 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL3986343 0.80 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3988396 0.79 MEN1 (0.41) KMT2AMEN1F2TSHRCA2
SCHEMBL5880870 0.78 KMT2A (0.37) KMT2AMEN1F2TSHRCA2
SCHEMBL3991442 0.78 MEN1 (0.42) KMT2AMEN1F2TSHRCA2
SCHEMBL5880836 0.77 KMT2A (0.37) KMT2AMEN1F2TSHRCA2
SCHEMBL5880893 0.76 KMT2A (0.42) KMT2AMEN1F2TSHRCA2
SCHEMBL5880874 0.75 MEN1 (0.39) KMT2AMEN1F2TSHRCA2
SCHEMBL5881026 0.75 CA2 (0.36) KMT2AMEN1TSHRCA2ALDH1A1
SCHEMBL5880936 0.74 MEN1 (0.39) KMT2AMEN1F2TSHRSMN1; SMN2
SCHEMBL5880748 0.74 SMN1; SMN2 (0.31) SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 KMT2A 3031/4885MEN1 4865/4885F2 3201/4885

“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.