SCHEMBL4049551

SCHEMBL4049551

O=c1[nH]nc(CSCc2ccccc2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.63
▸ LMNA P02545 2/20 0.55
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ DAO P14920 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ GLA P06280 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL5797843 0.87 TSHR (0.54) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4054011 0.85 LMNA (0.51) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL4046751 0.83 DAO (0.52) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL29125694 0.83 RAB9A (0.51) TSHRLMNARAB9ANPC1SMN1; SMN2
SCHEMBL12474423 0.78 DAO (0.73) TSHRLMNARAB9ANPC1DAO
SCHEMBL29125771 0.75 KMT2A (0.54) TSHRLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL29125948 0.74 KMT2A (0.53) TSHRLMNANPC1SMN1; SMN2ALDH1A1
SCHEMBL7668214 0.72 TSHR (0.52) TSHRLMNADAOALDH1A1BTK
SCHEMBL24417341 0.72 GLA (0.55) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL29125953 0.72 TSHR (0.54) TSHRLMNAALDH1A1GLAKMT2A

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
CN-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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

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 TSHR 1214/4885LMNA 528/4885RAB9A 2099/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 TSHR 1155/4885LMNA 568/4885RAB9A 2261/4885

“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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