SCHEMBL5897102

SCHEMBL5897102

O=C(O)/C(=C\c1ccc(-c2ccccc2OC(F)(F)F)o1)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
EP300 Q09472 1/20 0.46
MAPT P10636 7/20 0.45
MAPK1 P28482 6/20 0.45
LMNA P02545 4/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.42
POLB P06746 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 1/20 0.41
APAF1 O14727 1/20 0.40

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
SCHEMBL5897108 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1EP300MAPTMAPK1
SCHEMBL5897095 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1EP300MAPTMAPK1
SCHEMBL5895568 0.86 MAPT (0.51) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL5895545 0.86 MAPT (0.51) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL5895557 0.86 MAPT (0.51) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL5895964 0.84 LMNA (0.50) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL5895955 0.84 LMNA (0.50) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL5895946 0.84 LMNA (0.50) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL5896081 0.83 MAPT (0.55) ALDH1A1MAPTMAPK1LMNASCN10A
SCHEMBL5896101 0.83 MAPT (0.55) ALDH1A1MAPTMAPK1LMNASCN10A

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 ALDH1A1 832/4885L3MBTL1 3761/4885EP300 1235/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI ALDH1A1 1400/4885L3MBTL1 4022/4885EP300 1185/4885

“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.