SCHEMBL5770535

SCHEMBL5770535

CN(C)CCCNc1nccc(-c2[nH]c(C3OCC(C)(CO)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.63
MAPK12 P53778 8/20 0.63
MAPK11 Q15759 8/20 0.63
MAPK14 Q16539 8/20 0.63
SOAT1 P35610 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
SCHEMBL5769946 0.96 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770943 0.94 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771926 0.92 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771187 0.92 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771446 0.92 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770828 0.91 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5774308 0.90 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772259 0.90 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771164 0.89 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5768231 0.89 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14

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-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK13 1610/4885MAPK12 2766/4885MAPK11 1125/4885

“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.