SCHEMBL1581086

SCHEMBL1581086

CNCc1cc(-c2cccnc2C#N)n(S(=O)(=O)c2c(F)cccc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EED O75530 4/20 0.37
SUZ12 Q15022 3/20 0.37
EZH2 Q15910 3/20 0.37
HTR6 P50406 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
SLC40A1 Q9NP59 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
F10 P00742 1/20 0.31
GRM5 P41594 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SCN9A Q15858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
Hydrochloric Acid SCHEMBL2476690 0.99 EED (0.36) EEDSUZ12EZH2HTR6PRMT5
SCHEMBL1581025 0.89 ALOX5AP (0.35) EEDSUZ12EZH2ALOX5APFEN1
Hydrochloric Acid SCHEMBL5002930 0.89 ALOX5AP (0.34) EEDSUZ12EZH2HTR6ALOX5AP
SCHEMBL1580608 0.87 HTR6 (0.41) EEDSUZ12EZH2HTR6ALDH1A1
SCHEMBL1580625 0.86 PPME1 (0.40) EEDSUZ12EZH2HTR6PRMT5
Hydrochloric Acid SCHEMBL2409367 0.85 PPME1 (0.39) EEDSUZ12EZH2HTR6PRMT5
SCHEMBL1580992 0.85 MET (0.36) HTR6PRMT5WDR77PTGDR2
Hydrochloric Acid SCHEMBL2409973 0.84 MET (0.36) HTR6PRMT5WDR77PTGDR2
SCHEMBL4998955 0.83 USP19 (0.34) EEDSUZ12EZH2PTGDR2ALDH1A1
SCHEMBL4998963 0.83 PTGDR2 (0.34) EEDSUZ12EZH2PTGDR2F10

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 EED 928/4885SUZ12 194/4885EZH2 1963/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 EED 928/4885SUZ12 194/4885EZH2 1963/4885

“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.