SCHEMBL5474162

SCHEMBL5474162

CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.56
MCOLN3 Q8TDD5 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
TP53 P04637 2/20 0.45
GPR55 Q9Y2T6 1/20 0.44
MAPK1 P28482 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
SCHEMBL5469184 0.80 VCAM1 (0.64) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4742374 0.79 ALDH1A1 (0.71) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11250855 0.79 GAA (0.49) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL11101277 0.77 VCAM1 (0.58) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL10389238 0.74 SLC6A2 (0.54) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9303072 0.74 ALDH1A1 (0.73) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL14132272 0.74 HTR2A (0.72) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL3920974 0.73 GAA (0.87) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL19563418 0.73 ALDH1A1 (0.71) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL4159760 0.72 ALDH1A1 (1.00) GAAALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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 (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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 GAA 3884/4885ALDH1A1 1875/4885KDM4E 4108/4885
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 GAA 2064/4885ALDH1A1 1048/4885KDM4E 930/4885

“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.