SCHEMBL4201784

SCHEMBL4201784

CCCc1ccc2c(c1)NC(=O)C2=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.69
MAOA P21397 8/20 0.69
CES1 P23141 6/20 0.51
TGM2 P21980 5/20 0.50
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
BCHE P06276 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ADAMTS5 Q9UNA0 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
SCHEMBL7377143 0.86 TGM2 (0.69) MAOBMAOACES1TGM2CNR1
SCHEMBL5327486 0.86 MAOA (0.63) MAOBMAOACES1TGM2BCHE
SCHEMBL19642904 0.79 MAOB (0.63) MAOBMAOACES1TGM2BCHE
SCHEMBL13375281 0.79 MAOA (0.63) MAOBMAOACES1TGM2BCHE
SCHEMBL13594800 0.78 MAOA (0.58) MAOBMAOACES1TGM2BCHE
SCHEMBL12470147 0.78 MAOA (0.58) MAOBMAOACES1TGM2BCHE
SCHEMBL3742475 0.77 MAOB (0.70) MAOBMAOACES1TGM2ALDH1A1
SCHEMBL11052024 0.77 CNR1 (0.50) MAOBMAOACNR1CNR2ALDH1A1
SCHEMBL5133044 0.76 MAOB (0.73) MAOBMAOACES1TGM2ALDH1A1
SCHEMBL9727978 0.75 MAOA (0.77) MAOBMAOACES1TGM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032584-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Wyeth (US) 2009-03-11 EP disclosed
US-20080125469-A1 Thiadiazole compounds and methods of use thereof WYETH (US) 2008-05-29 US disclosed
WO-2007146138-A2 THIADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF WYETH (US) 2007-12-21 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 (1 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-20080125469-A1 Thiadiazole compounds and methods of use thereof ADAMTS5, ADAMTS1, TIMP3 MAOB 1987/4885MAOA 2263/4885CES1 1357/4885

“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.