SCHEMBL3977707

SCHEMBL3977707

CNC(=S)N1CCC[C@@H]1c1cc(-c2csc(Cl)c2)on1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
SCD5 Q86SK9 6/20 0.35
SCD O00767 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3975814 0.83 HCRTR1 (0.45) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL3974945 0.83 HCRTR1 (0.54) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL5478785 0.82 SMN1; SMN2 (0.48) HCRTR1HCRTR2NPC1ALDH1A1RAB9A
SCHEMBL4080514 0.81 HCRTR1 (0.39) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL4080513 0.81 HCRTR1 (0.39) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL2889901 0.80 SMN1; SMN2 (0.48) HCRTR1HCRTR2NPC1ALDH1A1LMNA
SCHEMBL13878117 0.80 HCRTR1 (0.38) HCRTR1HCRTR2SCD5SCDNPC1
SCHEMBL2899332 0.80 SMN1; SMN2 (0.48) HCRTR1HCRTR2NPC1ALDH1A1LMNA
SCHEMBL8066206 0.80 USP30 (0.48) HCRTR1HCRTR2ALDH1A1LMNAHTT
SCHEMBL13412244 0.79 HCRTR1 (0.51) HCRTR1HCRTR2SCD5SCD

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-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 HCRTR1 608/4885HCRTR2 347/4885SCD5 446/4885

“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.