SCHEMBL6100739

SCHEMBL6100739

COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
RAF1 P04049 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
BACE1 P56817 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 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
SCHEMBL3497360 0.90 GAA (0.48) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL31079436 0.90 GAA (0.48) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL6103190 0.89 POLB (0.52) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL6101632 0.87 MAPT (0.53) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL6101727 0.84 KMT2A (0.48) KMT2AALDH1A1HPGDGAAMEN1
SCHEMBL3496734 0.84 TMPRSS4 (0.56) KMT2AALDH1A1GAAMEN1HTT
SCHEMBL6099753 0.82 MAPT (0.56) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL4498909 0.80 POLB (0.53) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL3496921 0.80 TMPRSS4 (0.58) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL6101665 0.79 GAA (0.50) ALDH1A1HPGDGAAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA KMT2A 1435/4885ALDH1A1 535/4885HPGD 1463/4885

“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.