SCHEMBL5156178

SCHEMBL5156178

O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CACNA1B Q00975 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
KCNH2 Q12809 2/20 0.45
ACHE P22303 2/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL5152651 0.94 ACHE (0.48) NPSR1ALDH1A1LMNACACNA1BHRH3
SCHEMBL5151461 0.94 ACHE (0.48) NPSR1ALDH1A1LMNACACNA1BHRH3
SCHEMBL5151534 0.93 ACHE (0.47) NPSR1ALDH1A1LMNACACNA1BHCRTR1
SCHEMBL5152306 0.92 CACNA1B (0.45) NPSR1ALDH1A1LMNACACNA1BPTGS1
SCHEMBL5155039 0.86 ACHE (0.48) NPSR1ALDH1A1CACNA1BPTGS1PTGS2
SCHEMBL5392578 0.86 CACNA1B (0.55) NPSR1ALDH1A1LMNACACNA1BHRH3
SCHEMBL5156906 0.86 CACNA1B (0.48) NPSR1CACNA1BPTGS1PTGS2HCRTR1
SCHEMBL5154974 0.86 HCRTR1 (0.50) NPSR1CACNA1BPTGS1PTGS2HCRTR1
SCHEMBL5407258 0.85 CACNA1B (0.54) NPSR1ALDH1A1LMNACACNA1BHRH3
SCHEMBL5152302 0.84 HCRTR1 (0.51) CACNA1BPTGS1PTGS2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223754-B2 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2007-03-22 US disclosed
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-07-07 US disclosed
US-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 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 (3 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-20050113421-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders TRPV2, RYR2, VDAC2 NPSR1 2921/4885ALDH1A1 3381/4885LMNA 4361/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I NPSR1 3392/4885ALDH1A1 1370/4885LMNA 3554/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I NPSR1 3392/4885ALDH1A1 1370/4885LMNA 3554/4885

“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.