SCHEMBL412774

SCHEMBL412774

O=C1CCCN1c1ccc(-c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)c(F)c2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.41
CNR2 P34972 1/20 0.34
F10 P00742 3/20 0.34
GRM5 P41594 3/20 0.33
KDM1A O60341 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP1 P09874 2/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
GPR84 Q9NQS5 2/20 0.32
FGFR3 P22607 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL412768 0.90 CYP2C19 (0.39) CNR2F10GRM5CYP2C9CYP2C19
SCHEMBL411622 0.89 CYP2E1 (0.40) CYP2E1GRM5CYP2C9CYP2C19MAOA
SCHEMBL412775 0.89 CYP2E1 (0.40) CYP2E1GRM5CYP2C9CYP2C19MAOA
SCHEMBL412771 0.88 CNR2 (0.39) CYP2E1CNR2F10GRM5CYP2C9
SCHEMBL463747 0.86 CYP2E1 (0.58) CYP2E1CNR2F10CYP2C9CYP2C19
SCHEMBL412047 0.85 CYP2C19 (0.44) CYP2E1CNR2F10CYP2C9CYP2C19
SCHEMBL412767 0.84 MAOA (0.49) CYP2C9CYP2C19MAOAMAOB
SCHEMBL412766 0.83 F10 (0.40) CNR2F10GRM5PARP1
SCHEMBL5945098 0.81 CYP2E1 (0.37) CYP2E1CYP2C9CYP2C19MAOAMAOB
SCHEMBL13942427 0.81 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 352/4885CNR2 778/4885F10 3187/4885

“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.