SCHEMBL411080

SCHEMBL411080

O=C1NCCN1c1ccc(-c2ccc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.40
CYP2E1 P05181 1/20 0.36
CALML3 P27482 2/20 0.35
MAOA P21397 12/20 0.34
GRM5 P41594 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 2/20 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
SCHEMBL412775 0.88 CYP2E1 (0.40) TDO2CYP2E1CALML3MAOAGRM5
SCHEMBL412857 0.88 GRM5 (0.35) CYP2E1CALML3MAOAGRM5CYP2C9
SCHEMBL412657 0.88 CALML3 (0.51) CALML3MAOACYP2C9CYP2C19MAOB
SCHEMBL412771 0.88 CNR2 (0.39) CYP2E1CALML3MAOAGRM5CYP2C9
SCHEMBL412753 0.86 CALML3 (0.48) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL463337 0.85 CYP2E1 (0.52) TDO2CYP2E1CALML3MAOACYP2C9
SCHEMBL412646 0.85 TDO2 (0.42) TDO2CALML3MAOAGRM5CYP2C9
SCHEMBL412083 0.85 TDO2 (0.40) TDO2CALML3MAOACYP2C9CYP2C19
SCHEMBL411619 0.84 GRM2 (0.40) TDO2CALML3GRM5
SCHEMBL412794 0.84 TDO2 (0.46) 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 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 TDO2 183/4885CYP2E1 352/4885CALML3 1652/4885

“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.