SCHEMBL5154914

SCHEMBL5154914

COc1cc(OC)cc(C2SCC(=O)N2Cc2cccc(F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 2/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ACHE P22303 1/20 0.48
HTR7 P34969 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5156292 0.92 KMT2A (0.60) KMT2AMEN1MAPTPTGS1PTGS2
SCHEMBL5152175 0.84 KMT2A (0.58) KMT2AMEN1MAPTPTGS1PTGS2
SCHEMBL5149639 0.84 ACHE (0.51) KMT2AMEN1MAPTCYP3A4CYP2C19
SCHEMBL745998 0.83 HCRTR2 (0.67) KMT2AMEN1MAPTCYP3A4CYP2C19
SCHEMBL5156737 0.83 KMT2A (0.61) KMT2AMEN1MAPTCYP2C19ALDH1A1
SCHEMBL5151542 0.82 HCRTR1 (0.54) KMT2AMEN1MAPTHCRTR1HCRTR2
SCHEMBL5156260 0.81 KMT2A (0.57) KMT2AMEN1MAPTPTGS1PTGS2
SCHEMBL5151519 0.79 KMT2A (0.74) KMT2AMEN1MAPTPTGS1PTGS2
SCHEMBL5151474 0.79 HCRTR1 (0.61) KMT2AMEN1MAPTHCRTR1HCRTR2
SCHEMBL5156354 0.77 MEN1 (0.58) KMT2AMEN1MAPTPTGS1PTGS2

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 KMT2A 4084/4885MEN1 3532/4885MAPT 3411/4885
US-20070066597-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I KMT2A 3401/4885MEN1 3820/4885MAPT 2432/4885
US-20050148587-A1 Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating lower urinary tract and related disorders RYR2, CACNB2, CACNA1I KMT2A 3401/4885MEN1 3820/4885MAPT 2432/4885

“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.