SCHEMBL6564852

SCHEMBL6564852

COC(=O)c1cc([N+](=O)[O-])ccc1OC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.45
GRIK1 P39086 1/20 0.43
KIF11 P52732 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
P2RX1 P51575 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HPGD P15428 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CFTR P13569 1/20 0.39
PYGL P06737 1/20 0.39

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
SCHEMBL6564698 0.97 MPO (0.45) MPOGRIK1KIF11TRPV1MAPT
SCHEMBL6565839 0.89 MEN1 (0.44) MPOMAPTMEN1KMT2ALMNA
SCHEMBL6567977 0.88 MAPT (0.38) MPOMAPTMEN1KMT2ALMNA
SCHEMBL6565636 0.88 MAPT (0.43) MPOMAPTMEN1KMT2ALMNA
SCHEMBL6564654 0.88 MEN1 (0.41) MPOTRPV1MAPTMEN1KMT2A
SCHEMBL6564665 0.86 KMT2A (0.43) TRPV1MAPTMEN1KMT2ALMNA
SCHEMBL6564797 0.84 MAPT (0.41) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL6567723 0.84 MEN1 (0.52) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL6565695 0.84 KMT2A (0.43) MAPTMEN1KMT2ALMNAP2RX1
SCHEMBL6567957 0.83 CFTR (0.48) MAPTMEN1KMT2ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 MPO 3458/4885GRIK1 816/4885KIF11 3361/4885

“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.