SCHEMBL412775

SCHEMBL412775

O=C1NCCN1c1ccc(-c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.40
TDO2 P48775 1/20 0.38
GRM5 P41594 3/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOA P21397 7/20 0.32
MAOB P27338 1/20 0.32
CALML3 P27482 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CETP P11597 3/20 0.31
GRM2 Q14416 2/20 0.30

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
SCHEMBL412083 0.91 TDO2 (0.40) TDO2CYP2C9CYP2C19MAOAMAOB
SCHEMBL411622 0.89 CYP2E1 (0.40) CYP2E1GRM5CYP2C9CYP2C19MAOA
SCHEMBL412774 0.89 CYP2E1 (0.41) CYP2E1GRM5CYP2C9CYP2C19MAOA
SCHEMBL411080 0.88 TDO2 (0.40) CYP2E1TDO2GRM5CYP2C9CYP2C19
SCHEMBL463342 0.85 CYP2E1 (0.57) CYP2E1TDO2CYP2C9CYP2C19MAOA
SCHEMBL412820 0.85 TDO2 (0.46) CYP2E1TDO2CYP2C9CYP2C19MAOA
SCHEMBL411619 0.84 GRM2 (0.40) TDO2GRM5CALML3GRM2
SCHEMBL412657 0.84 CALML3 (0.51) CYP2C9CYP2C19MAOAMAOBCALML3
SCHEMBL13942427 0.82 CYP2E1 (0.37) CYP2E1CYP2C9CYP2C19MAOAMAOB
SCHEMBL5945098 0.82 CYP2E1 (0.37) CYP2E1CYP2C9CYP2C19MAOAMAOB

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 CYP2E1 352/4885TDO2 183/4885GRM5 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.