SCHEMBL5156801

SCHEMBL5156801

COc1ccc(OC)c(CN2C(=O)CSC2c2cc(F)ccc2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
HTR7 P34969 8/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 1/20 0.42
TACR1 P25103 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6827589 0.81 TSHR (0.41) KDM4EGAAMAPTMAPK1KMT2A
SCHEMBL5149666 0.81 PTGS1 (0.50) HCRTR1HCRTR2HTR7KDM4EGAA
SCHEMBL5156417 0.79 ALDH1A1 (0.53) HCRTR1HCRTR2HTR7KDM4EGAA
SCHEMBL5149537 0.79 MEN1 (0.49) HCRTR1HCRTR2HTR7MAPTKMT2A
SCHEMBL743623 0.79 HCRTR1 (0.64) HCRTR1HCRTR2HTR7KDM4EGAA
SCHEMBL746074 0.78 MEN1 (0.48) HCRTR1HCRTR2HTR7KDM4EGAA
SCHEMBL5152487 0.77 MEN1 (0.45) HCRTR1HCRTR2HTR7MAPTKMT2A
SCHEMBL5151455 0.76 MEN1 (0.47) HCRTR1HCRTR2HTR7MAPTKMT2A
SCHEMBL5155122 0.76 HCRTR1 (0.60) HCRTR1HCRTR2HTR7KDM4EGAA
SCHEMBL5152599 0.75 GAA (0.53) HCRTR1HCRTR2HTR7KDM4EGAA

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 4 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

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 HCRTR1 1608/4885HCRTR2 194/4885HTR7 1424/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I HCRTR1 2195/4885HCRTR2 251/4885HTR7 2363/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I HCRTR1 2195/4885HCRTR2 251/4885HTR7 2363/4885

“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.