SCHEMBL3695259

SCHEMBL3695259

CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2F)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.36
KCNH2 Q12809 5/20 0.36
CACNA1G O43497 3/20 0.36
CACNA1H O95180 3/20 0.36
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR2A P28223 1/20 0.34
NAMPT P43490 2/20 0.33
CYP2C9 P11712 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 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
Hydrochloric Acid SCHEMBL3695929 0.99 HTR6 (0.36) HTR6KCNH2CACNA1GCACNA1HHTR2C
SCHEMBL476271 0.93 HTR6 (0.40) HTR6KCNH2HTR2CSLC6A4HTR2A
Hydrochloric Acid SCHEMBL476306 0.92 HTR6 (0.40) HTR6KCNH2HTR2CSLC6A4HTR2A
SCHEMBL476445 0.90 HTR6 (0.38) HTR6KCNH2CACNA1GCACNA1HHTR2C
Hydrochloric Acid SCHEMBL3703128 0.90 HTR6 (0.46) HTR6KCNH2CACNA1GCACNA1HHTR2C
Hydrochloric Acid SCHEMBL476331 0.89 HTR6 (0.38) HTR6KCNH2CACNA1GCACNA1HHTR2C
SCHEMBL476372 0.89 MMP2 (0.37) NAMPT
Hydrochloric Acid SCHEMBL476489 0.88 MMP2 (0.37) NAMPT
SCHEMBL476373 0.87 GLO1 (0.39) HTR6NAMPT
Hydrochloric Acid SCHEMBL3690326 0.86 NFE2L2 (0.42) HTR6HTR2CSLC6A4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP claimed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP claimed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO claimed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US claimed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO claimed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 HTR6 3676/4885KCNH2 3538/4885CACNA1G 2685/4885

“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.