SCHEMBL463412

SCHEMBL463412

O=C1OCCN1c1ccc(-c2ccc(N3C[C@H](CNc4ccon4)OC3=O)c(F)c2F)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.51
MAOA P21397 4/20 0.46
F10 P00742 8/20 0.37
EED O75530 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
MAOB P27338 3/20 0.34
CYP2C19 P33261 2/20 0.33
CALML3 P27482 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
SDHA P31040 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL463337 0.88 CYP2E1 (0.52) CYP2E1MAOAF10MAOBCYP2C19
SCHEMBL463752 0.88 CYP2E1 (0.52) CYP2E1MAOAF10MAOBCYP2C19
SCHEMBL463336 0.88 CYP2E1 (0.57) CYP2E1MAOAF10EEDSUZ12
SCHEMBL463294 0.87 MAOA (0.60) CYP2E1MAOAMAOBCYP2C19CALML3
SCHEMBL412830 0.85 CYP2E1 (0.34) CYP2E1MAOAF10EEDSUZ12
SCHEMBL412857 0.85 GRM5 (0.35) CYP2E1MAOAF10EEDSUZ12
SCHEMBL412683 0.85 MAOA (0.44) MAOAF10EEDSUZ12EZH2
SCHEMBL463586 0.84 MAOA (0.48) CYP2E1MAOAF10
SCHEMBL463290 0.83 MAOA (0.52) CYP2E1MAOAF10MAOBCYP2C19
SCHEMBL463353 0.83 F10 (0.44) MAOAF10MAOBCALML3LMNA

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 CYP2E1 352/4885MAOA 853/4885F10 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.