SCHEMBL412753

SCHEMBL412753

O=C1NCCN1c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)c(F)c2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
TDO2 P48775 1/20 0.47
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 11/20 0.44
MAOB P27338 2/20 0.44
CYP3A4 P08684 1/20 0.42

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
SCHEMBL412794 0.93 TDO2 (0.46) CALML3TDO2CYP2C19CYP2C9MAOA
SCHEMBL412646 0.88 TDO2 (0.42) CALML3TDO2CYP2C19CYP2C9MAOA
SCHEMBL412820 0.87 TDO2 (0.46) CALML3TDO2CYP2C19CYP2C9MAOA
SCHEMBL463249 0.86 TDO2 (0.41) CALML3TDO2MAOAMAOB
SCHEMBL411080 0.86 TDO2 (0.40) CALML3TDO2CYP2C19CYP2C9MAOA
SCHEMBL412683 0.86 MAOA (0.44) CALML3CYP2C19CYP2C9MAOAMAOB
SCHEMBL463337 0.85 CYP2E1 (0.52) CALML3TDO2CYP2C19CYP2C9MAOA
SCHEMBL412177 0.85 CNR2 (0.45) CALML3CYP2C19CYP2C9MAOAMAOB
SCHEMBL411595 0.85 CALML3 (0.68) CALML3CYP2C19CYP2C9MAOAMAOB
SCHEMBL412056 0.85 CALML3 (0.43) CALML3CYP2C19CYP2C9MAOAMAOB

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
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 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-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP CALML3 1652/4885TDO2 183/4885CYP2C19 65/4885

“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.