SCHEMBL6103190

SCHEMBL6103190

O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Br)ccc1OC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TRPV1 Q8NER1 1/20 0.49
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNK3 O14649 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL6101632 0.93 MAPT (0.53) POLBL3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL4498909 0.92 POLB (0.53) POLBL3MBTL1TRPV1GAAKDM4E
SCHEMBL3497360 0.90 GAA (0.48) POLBL3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL31079436 0.90 GAA (0.48) POLBL3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL6100739 0.89 KMT2A (0.52) POLBGAAKDM4ESMN1; SMN2TSHR
SCHEMBL3496734 0.85 TMPRSS4 (0.56) POLBL3MBTL1GAASMN1; SMN2MAPT
SCHEMBL19612142 0.84 TP53 (0.48) POLBL3MBTL1GAAKDM4EMAPT
SCHEMBL3496921 0.83 TMPRSS4 (0.58) POLBL3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL6101665 0.81 GAA (0.50) GAAKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL6101727 0.80 KMT2A (0.48) POLBGAASMN1; SMN2MAPTALDH1A1

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 POLB 2254/4885L3MBTL1 1394/4885TRPV1 1623/4885

“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.