SCHEMBL6040261

SCHEMBL6040261

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.50
MAOA P21397 8/20 0.45
F10 P00742 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAOB P27338 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6624270 1.00 CALML3 (0.50) CALML3MAOAF10CYP3A4CYP2D6
SCHEMBL6637668 0.91 CALML3 (0.48) CALML3MAOAF10CYP3A4CYP2D6
SCHEMBL6637672 0.91 CALML3 (0.48) CALML3MAOAF10CYP3A4CYP2D6
SCHEMBL6638260 0.86 MAOA (0.54) CALML3MAOAF10MAOB
Trifluoroacetic Acid SCHEMBL6707502 0.85 CALML3 (0.44) CALML3MAOAF10CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL6707503 0.85 CALML3 (0.44) CALML3MAOAF10CYP3A4CYP2D6
SCHEMBL6638909 0.84 CALML3 (0.48) CALML3MAOAF10CYP3A4CYP2D6
SCHEMBL6638913 0.84 CALML3 (0.48) CALML3MAOAF10CYP3A4CYP2D6
SCHEMBL6040227 0.84 MAOA (0.66) CALML3MAOAF10MAOB
SCHEMBL3043429 0.84 MAOA (0.52) CALML3MAOAF10CYP3A4CYP2D6

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 10 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
EP-1472247-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP 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
WO-2003066631-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-08-14 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-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections TBCD, THPO, NISCH CALML3 4231/4885MAOA 2120/4885F10 3344/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 CALML3 3583/4885MAOA 1179/4885F10 2380/4885

“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.