SCHEMBL1580418

SCHEMBL1580418

CNCc1cc(-c2c(F)cccc2F)n(S(=O)(=O)c2cccnc2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
SLC6A9 P48067 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
KAT5 Q92993 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
EPHX2 P34913 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
TSHR P16473 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALPL P05186 1/20 0.33

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
Fumaric Acid SCHEMBL1278412 0.93 SLC6A9 (0.37) HTTSLC6A9CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL1278418 0.93 SLC6A9 (0.37) HTTSLC6A9CHRNB2CHRNB4CHRNA3
SCHEMBL1580961 0.89 CHRNB2 (0.38) HTTSLC6A9CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL1278635 0.82 CHRNB2 (0.38) HTTSLC6A9CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL1278638 0.82 CHRNB2 (0.38) HTTSLC6A9CHRNB2CHRNB4CHRNA3
SCHEMBL1580759 0.79 EPHX2 (0.40) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1278080 0.79 HTT (0.37) HTTSLC6A9CHRNB2CHRNB4CHRNA3
SCHEMBL1762901 0.78 CHRNB2 (0.39) HTTSLC6A9CHRNB2CHRNB4CHRNA3
SCHEMBL1580398 0.75 CHRNB2 (0.37) HTTCHRNB2CHRNB4CHRNA3CHRNA4
Fumaric Acid SCHEMBL1278628 0.73 HDAC1 (0.37) HTTCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 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 (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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTT 1142/4885SLC6A9 1263/4885CHRNB2 4514/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 HTT 1142/4885SLC6A9 1263/4885CHRNB2 4514/4885

“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.