SCHEMBL16871978

SCHEMBL16871978

O=S(=O)(Oc1cc(Cl)nc2c1CCCC2)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 10/20 0.34
KDM4E B2RXH2 1/20 0.34
BCHE P06276 6/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2A Q12879 5/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 2/20 0.32
HTR1D P28221 2/20 0.32
DRD3 P35462 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL16872206 0.97 BCHE (0.34) SMN1; SMN2L3MBTL1ACHEKDM4EBCHE
SCHEMBL18584373 0.81 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1KDM4EDRD2DRD3
SCHEMBL18584455 0.80 KDM4E (0.39) SMN1; SMN2L3MBTL1ACHEKDM4EBCHE
SCHEMBL18584378 0.78 SMN1; SMN2 (0.36) SMN1; SMN2L3MBTL1ACHEKDM4EDRD2
SCHEMBL18584379 0.78 KDM4E (0.33) SMN1; SMN2L3MBTL1ACHEKDM4EBCHE
SCHEMBL16872097 0.78 ACHE (0.38) SMN1; SMN2L3MBTL1ACHEKDM4EBCHE
SCHEMBL18584588 0.77 KDM4E (0.42) SMN1; SMN2L3MBTL1ACHEKDM4EMAPT
SCHEMBL18584530 0.75 ACHE (0.43) ACHEKDM4EBCHE
SCHEMBL16739336 0.73 POLB (0.58) SMN1; SMN2L3MBTL1ACHEBCHEGRIN1
SCHEMBL25249951 0.72 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ACHEKDM4EBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2015-08-13 US disclosed
EP-2891656-A1 PYRIDINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2015-07-08 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-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE TRPV1, TRPV5, TRPM5 SMN1; SMN2 1815/4885L3MBTL1 4075/4885ACHE 1178/4885

“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.