SCHEMBL5896068

SCHEMBL5896068

O=C(O)/C(=C\c1cccc(Oc2cccc(C(F)(F)F)c2)c1)NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.50
MAPK14 Q16539 2/20 0.48
GCGR P47871 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.44
KCNK3 O14649 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
EPOR P19235 1/20 0.43
MAPK1 P28482 1/20 0.43
ASF1A Q9Y294 1/20 0.42

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
SCHEMBL5896056 1.00 LMNA (0.61) LMNAGAAMAPK14GCGRMAPT
SCHEMBL5896074 1.00 LMNA (0.61) LMNAGAAMAPK14GCGRMAPT
SCHEMBL5895003 0.88 LMNA (0.76) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5895023 0.88 LMNA (0.76) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5895012 0.88 LMNA (0.76) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5894883 0.84 LMNA (0.67) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL5894892 0.84 LMNA (0.67) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL5894898 0.84 LMNA (0.67) LMNAMAPTPOLBALDH1A1MEN1
SCHEMBL5896384 0.82 LMNA (0.70) LMNAGAAMAPK14MAPTALDH1A1
SCHEMBL5896831 0.82 LMNA (0.67) LMNAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 US disclosed
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 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 (2 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-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 LMNA 4118/4885GAA 279/4885MAPK14 3666/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI LMNA 4047/4885GAA 233/4885MAPK14 3531/4885

“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.