SCHEMBL6639743

SCHEMBL6639743

O=C1CSC(c2ccc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)=NN1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.67
CYP2E1 P05181 1/20 0.47
CALML3 P27482 6/20 0.43
MAOB P27338 3/20 0.39
F10 P00742 3/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 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
SCHEMBL3323187 0.87 MAOA (0.79) MAOACYP2E1CALML3MAOBLMNA
SCHEMBL3323189 0.87 MAOA (0.79) MAOACYP2E1CALML3MAOBLMNA
SCHEMBL3323196 0.87 MAOA (0.79) MAOACYP2E1CALML3MAOBLMNA
SCHEMBL6624270 0.84 CALML3 (0.50) MAOACALML3MAOBF10
SCHEMBL6040261 0.84 CALML3 (0.50) MAOACALML3MAOBF10
SCHEMBL6623578 0.83 MAOA (0.46) MAOACALML3MAOB
SCHEMBL6623574 0.83 MAOA (0.46) MAOACALML3MAOB
SCHEMBL6638260 0.82 MAOA (0.54) MAOACALML3MAOBF10LMNA
SCHEMBL6040227 0.82 MAOA (0.66) MAOACALML3MAOBF10LMNA
SCHEMBL6633623 0.81 MAOA (0.56) MAOACALML3MAOBF10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828317-B2 Bactericides; gramnegative, grampositive bacteria PHARMACIA & UPJOHN COMPANY 2004-12-07 US claimed
EP-1472247-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
US-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections LEUHR GARY W (US) 2004-01-22 US claimed
WO-2003066631-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-08-14 WO claimed
US-6828317-B2 Bactericides; gramnegative, grampositive bacteria PHARMACIA & UPJOHN COMPANY 2004-12-07 US disclosed
US-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections LEUHR GARY W (US) 2004-01-22 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 (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-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections TBCD, THPO, NISCH MAOA 2120/4885CYP2E1 372/4885CALML3 4231/4885

“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.