SCHEMBL463342

SCHEMBL463342

O=C1NCCN1c1ccc(-c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)c(F)c2F)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.57
MAOA P21397 5/20 0.45
TDO2 P48775 1/20 0.38
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAOB P27338 4/20 0.32
CETP P11597 3/20 0.32
F10 P00742 1/20 0.32
CALML3 P27482 2/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
LMNA P02545 1/20 0.30
PTGS1 P23219 1/20 0.30
SDHA P31040 1/20 0.30
CYP3A4 P08684 1/20 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
SCHEMBL463748 0.91 MAOA (0.53) CYP2E1MAOATDO2CYP2C19CYP2C9
SCHEMBL463336 0.89 CYP2E1 (0.57) CYP2E1MAOACYP2C19CYP2C9MAOB
SCHEMBL463747 0.89 CYP2E1 (0.58) CYP2E1MAOACYP2C19CYP2C9MAOB
SCHEMBL463337 0.89 CYP2E1 (0.52) CYP2E1MAOATDO2CYP2C19CYP2C9
SCHEMBL13941138 0.86 CYP2E1 (0.54) CYP2E1MAOACYP2C19CYP2C9MAOB
SCHEMBL412775 0.85 CYP2E1 (0.40) CYP2E1MAOATDO2CYP2C19CYP2C9
SCHEMBL412820 0.85 TDO2 (0.46) CYP2E1MAOATDO2CYP2C19CYP2C9
SCHEMBL463709 0.84 MAOA (0.49) CYP2E1MAOATDO2CYP2C19CYP2C9
SCHEMBL463398 0.84 MAOA (0.60) CYP2E1MAOACYP2C19CYP2C9MAOB
SCHEMBL13942418 0.81 CYP2E1 (0.52) CYP2E1MAOACYP2C19MAOBCYP3A4

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 1 patent. 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

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 853/4885TDO2 183/4885

“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.