SCHEMBL412646

SCHEMBL412646

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.42
CALML3 P27482 3/20 0.37
GRM5 P41594 3/20 0.35
MAOA P21397 9/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOB P27338 2/20 0.35
CETP P11597 3/20 0.34

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
SCHEMBL10068629 0.93 TDO2 (0.41) TDO2CALML3GRM5MAOACYP2C9
SCHEMBL412753 0.88 CALML3 (0.48) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL412791 0.88 GRM5 (0.36) CALML3GRM5MAOACYP2C9CYP2C19
SCHEMBL412829 0.87 CALML3 (0.53) CALML3MAOACYP2C9CYP2C19MAOB
SCHEMBL412794 0.86 TDO2 (0.46) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL412640 0.85 TDO2 (0.43) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL411080 0.85 TDO2 (0.40) TDO2CALML3GRM5MAOACYP2C9
SCHEMBL411159 0.85 TDO2 (0.39) TDO2CALML3GRM5MAOACYP2C9
SCHEMBL463249 0.82 TDO2 (0.41) TDO2CALML3MAOAMAOBCETP
SCHEMBL469913 0.81 CALML3 (0.44) TDO2CALML3MAOACYP2C9CYP2C19

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 2 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
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 TDO2 183/4885CALML3 1652/4885GRM5 4129/4885

“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.