SCHEMBL5896085

SCHEMBL5896085

O=C(O)/C(=C\c1ccc(-c2ccc(F)cc2)o1)NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 7/20 0.67
KDM4E B2RXH2 7/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
POLB P06746 4/20 0.67
PKM P14618 2/20 0.67
MAPK1 P28482 5/20 0.58
LMNA P02545 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MITF O75030 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 3/20 0.53
RAD52 P43351 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 5/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5896094 1.00 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5896075 1.00 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5896010 0.91 MAPT (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5896020 0.91 MAPT (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5896030 0.91 MAPT (0.65) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5895812 0.91 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5895805 0.91 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5895791 0.91 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5897066 0.89 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5897060 0.89 MAPT (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A

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 832/4885MAPT 3583/4885KDM4E 2739/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI ALDH1A1 1400/4885MAPT 3589/4885KDM4E 2538/4885

“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.