SCHEMBL6040259

SCHEMBL6040259

NC(=O)[C@@H]1CN(c2ccc(C3=NNC(=O)CS3)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.52
CALML3 P27482 6/20 0.43
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
F10 P00742 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL3043429 1.00 MAOA (0.52) MAOACALML3CYP3A4CYP2D6F10
SCHEMBL6638260 0.84 MAOA (0.54) MAOACALML3F10MAOB
SCHEMBL6624270 0.84 CALML3 (0.50) MAOACALML3CYP3A4CYP2D6F10
SCHEMBL6040261 0.84 CALML3 (0.50) MAOACALML3CYP3A4CYP2D6F10
SCHEMBL3038800 0.83 CALML3 (0.39) MAOACALML3MAOB
SCHEMBL3045663 0.83 CALML3 (0.39) MAOACALML3MAOB
SCHEMBL6040227 0.81 MAOA (0.66) MAOACALML3F10MAOB
SCHEMBL6040347 0.80 MAOA (0.53) MAOACALML3F10MAOB
SCHEMBL6638801 0.79 MAOA (0.55) MAOACALML3F10MAOB
SCHEMBL6635792 0.79 MAOA (0.55) MAOACALML3F10MAOB

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 8 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-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-6828317-B2 Bactericides; gramnegative, grampositive bacteria PHARMACIA & UPJOHN COMPANY 2004-12-07 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 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 (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-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections TBCD, THPO, NISCH MAOA 2120/4885CALML3 4231/4885CYP3A4 441/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOA 1179/4885CALML3 3583/4885CYP3A4 112/4885

“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.