SCHEMBL4049209

SCHEMBL4049209

O=c1[nH]nc(CCCS(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.44
HTR7 P34969 3/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
GAA P10253 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40
CYP11B1 P15538 1/20 0.40
LSS P48449 1/20 0.39
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL4048219 0.93 MEN1 (0.44) HTR1AHTR7MEN1KMT2AMAPT
SCHEMBL4047405 0.86 MEN1 (0.46) MEN1KMT2AMAPTGPR84GAA
SCHEMBL4045365 0.82 PARP1 (0.44) HTR1AMAPT
SCHEMBL4045807 0.75 TP53 (0.44) MAPT
SCHEMBL4046557 0.74 FPR2 (0.46)
SCHEMBL4046550 0.68 TP53 (0.45) MAPT
SCHEMBL4671150 0.65 MEN1 (0.65) MEN1KMT2AMAPTGAALSS
SCHEMBL5212351 0.65 ALDH1A1 (0.54) MAPTALDH1A1
SCHEMBL2155630 0.64 MEN1 (0.68) HTR7MEN1KMT2AMAPTGAA
SCHEMBL918001 0.63 DRD2 (0.61) HTR1AGAADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732903-B1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2009-02-18 EP claimed
US-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd ASTRAZENECA AB (SE) 2007-09-20 US claimed
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ERIKSSON ANDERS 2009-12-03 US disclosed
EP-1732903-B1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1732903-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005095362-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2005-10-13 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 (2 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-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd MMP9, MMP3, MMP25 HTR1A 838/4885HTR7 1469/4885MEN1 3844/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 HTR1A 986/4885HTR7 1683/4885MEN1 3356/4885

“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.