SCHEMBL10035008

SCHEMBL10035008

O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)c(N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.46
KCNJ1 P48048 1/20 0.46
SLC6A9 P48067 4/20 0.45
SLC6A5 Q9Y345 2/20 0.45
MAPT P10636 3/20 0.45
PAX8 Q06710 2/20 0.44
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
MITF O75030 1/20 0.43
IDE P14735 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL4252010 0.80 LMNA (0.47) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4857220 0.79 MAPT (0.55) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL520263 0.79 SLC6A5 (0.61) ALDH1A1LMNASMN1; SMN2HTTSLC6A9
SCHEMBL29833031 0.79 SLC6A5 (0.61) ALDH1A1LMNASMN1; SMN2HTTSLC6A9
SCHEMBL2198567 0.77 MAPT (0.53) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL8616810 0.77 HSPB1 (0.51) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL28401990 0.76 SLC6A9 (0.61) ALDH1A1LMNASMN1; SMN2HTTSLC6A9
SCHEMBL30619305 0.76 SLC6A9 (0.61) ALDH1A1LMNASMN1; SMN2HTTSLC6A9
SCHEMBL25796967 0.76 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HTTSLC6A9
SCHEMBL521191 0.74 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTSLC6A9

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-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN ALDH1A1 1151/4885LMNA 2633/4885SMN1; SMN2 4689/4885

“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.