SCHEMBL3498004

SCHEMBL3498004

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2cc1OC(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HCRTR1 O43613 1/20 0.52
TP53 P04637 1/20 0.48
P2RX1 P51575 4/20 0.47
P2RX4 Q99571 2/20 0.47
P2RX7 Q99572 2/20 0.47
P2RX3 P56373 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RUVBL1 Q9Y265 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
SCHEMBL6101665 0.87 GAA (0.50) TP53P2RX1P2RX4P2RX7SMN1; SMN2
SCHEMBL3498301 0.85 EPHX1 (0.49) KMT2ATP53P2RX1P2RX4P2RX7
SCHEMBL3496734 0.85 TMPRSS4 (0.56) KMT2AMEN1TP53P2RX1P2RX4
SCHEMBL3498205 0.84 TMPRSS4 (0.55) KMT2AMEN1TP53P2RX1P2RX4
SCHEMBL13698751 0.84 TMPRSS4 (0.55) KMT2AMEN1TP53P2RX1P2RX4
SCHEMBL3498211 0.83 P2RX1 (0.49) KMT2AMEN1TP53P2RX1P2RX4
SCHEMBL6102407 0.83 RAB9A (0.50) TP53P2RX1SMN1; SMN2GAANPSR1
SCHEMBL6102718 0.83 MAOB (0.47) KMT2ATP53P2RX1P2RX4P2RX7
SCHEMBL6102715 0.82 P2RX1 (0.46) KMT2AMEN1TP53P2RX1P2RX4
SCHEMBL6101727 0.79 KMT2A (0.48) KMT2AMEN1P2RX1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
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 (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-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 1435/4885MEN1 3746/4885HCRTR1 3398/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 KMT2A 1951/4885MEN1 4814/4885HCRTR1 2153/4885

“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.