SCHEMBL5152138

SCHEMBL5152138

O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 3/20 0.37
CACNA1B Q00975 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFER P55789 1/20 0.35
KCNN4 O15554 3/20 0.35
CETP P11597 3/20 0.34

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
SCHEMBL5151419 0.85 KMT2A (0.46) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL5156971 0.83 KMT2A (0.37) KMT2APOLBMEN1CACNA1BSMN1; SMN2
SCHEMBL5149619 0.78 HCRTR1 (0.45) KMT2APOLBHCRTR1HCRTR2MEN1
SCHEMBL5151385 0.78 KMT2A (0.38) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL5156907 0.78 KMT2A (0.60) KMT2APOLBHCRTR1HCRTR2MEN1
SCHEMBL5152312 0.78 HCRTR1 (0.46) KMT2AHCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL5149508 0.78 MEN1 (0.44) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL5156718 0.78 MEN1 (0.43) KMT2APOLBHCRTR1HCRTR2MEN1
SCHEMBL5152821 0.77 CACNA1B (0.53) KMT2APOLBHCRTR1HCRTR2MEN1
SCHEMBL5155154 0.76 ALDH1A1 (0.42) KMT2APOLBMEN1CACNA1BALDH1A1

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 KMT2A 4084/4885POLB 4811/4885HCRTR1 1608/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I KMT2A 3401/4885POLB 4735/4885HCRTR1 2195/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I KMT2A 3401/4885POLB 4735/4885HCRTR1 2195/4885

“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.