SCHEMBL4046751

SCHEMBL4046751

O=c1[nH]nc(CCCSCc2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 5/20 0.52
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HAGH Q16775 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL4054011 0.91 LMNA (0.51) DAOLMNATSHRCYP2C19CYP1A2
SCHEMBL4049551 0.83 TSHR (0.63) DAOLMNATSHRCYP2C19ALDH1A1
SCHEMBL10368266 0.75 CYP2C19 (0.45) DAOLMNACYP2C19CYP1A2CYP3A4
SCHEMBL29125948 0.74 KMT2A (0.53) LMNATSHRCYP2C19CYP1A2CYP3A4
SCHEMBL5797843 0.72 TSHR (0.54) DAOLMNATSHRCYP2C19ALDH1A1
SCHEMBL12474423 0.72 DAO (0.73) DAOLMNATSHRCYP2C9ALDH1A1
SCHEMBL6306047 0.71 CYP2C19 (0.59) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL7909121 0.71 CYP2C19 (0.59) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL29125771 0.70 KMT2A (0.54) LMNATSHRCYP2C19CYP1A2CYP3A4
SCHEMBL28965534 0.69 CYP2C19 (0.57) LMNACYP2C19CYP1A2CYP3A4CYP2D6

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-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 DAO 1266/4885LMNA 528/4885TSHR 1214/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 DAO 1022/4885LMNA 568/4885TSHR 1155/4885

“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.

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