SCHEMBL3175321

SCHEMBL3175321

CC(C)(C)c1cc(NC(=O)NCc2ccc(Oc3ccncc3)cc2)on1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.73
MAPK14 Q16539 8/20 0.52
MAPK13 O15264 3/20 0.52
ALDH1A1 P00352 2/20 0.51
RIPK2 O43353 1/20 0.48
NAMPT P43490 4/20 0.48
FLT3 P36888 1/20 0.46
MMP13 P45452 2/20 0.46
MMP2 P08253 1/20 0.46
CYP3A4 P08684 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13234462 0.87 ALDH1A1 (0.55) RAF1MAPK14ALDH1A1HTTSMN1; SMN2
SCHEMBL667897 0.84 RAF1 (1.00) RAF1MAPK14MAPK13ALDH1A1RIPK2
SCHEMBL102637 0.82 RAF1 (0.72) RAF1MAPK14MAPK13RIPK2FLT3
SCHEMBL4441367 0.79 RAF1 (0.73) RAF1MAPK14MAPK13ALDH1A1RIPK2
SCHEMBL15574733 0.78 HDAC1 (0.63) RAF1MAPK14ALDH1A1RIPK2NAMPT
SCHEMBL938751 0.77 RAF1 (0.80) RAF1MAPK14MAPK13RIPK2FLT3
SCHEMBL667449 0.77 RAF1 (0.80) RAF1MAPK14MAPK13RIPK2FLT3
SCHEMBL15574578 0.77 NAMPT (0.62) RAF1NAMPTHTT
SCHEMBL667885 0.76 RAF1 (0.72) RAF1MAPK14MAPK13ALDH1A1FLT3
SCHEMBL16990619 0.75 HTT (0.64) NAMPTHTT

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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 RAF1 2980/4885MAPK14 500/4885MAPK13 593/4885

“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.