SCHEMBL9931187

SCHEMBL9931187

CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnn(C)n5)nc4)cc3C[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
KCNH2 Q12809 2/20 0.45
CYP2C19 P33261 1/20 0.42
BDKRB1 P46663 9/20 0.33
FFAR1 O14842 1/20 0.33
PDE10A Q9Y233 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
F10 P00742 1/20 0.32
NAMPT P43490 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
SCHEMBL14069264 1.00 MAOB (0.49) MAOBMAOAKCNH2CYP2C19BDKRB1
SCHEMBL9968660 0.93 MAOB (0.48) MAOBMAOAKCNH2CYP2C19BDKRB1
SCHEMBL9930537 0.89 KCNH2 (0.51) MAOBMAOAKCNH2CYP2C19PDE10A
SCHEMBL9930911 0.89 MAOB (0.57) MAOBMAOAKCNH2BDKRB1FFAR1
SCHEMBL9930239 0.88 MAOB (0.45) MAOBMAOAKCNH2CYP2C19PDE10A
SCHEMBL9930165 0.86 MAOB (0.49) MAOBMAOAKCNH2BDKRB1FFAR1
SCHEMBL9930162 0.84 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL14069262 0.84 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL13429544 0.83 MAOB (0.46) MAOBMAOAKCNH2BDKRB1PDE10A
SCHEMBL13429548 0.83 MAOB (0.46) MAOBMAOAKCNH2BDKRB1PDE10A

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 MAOB 761/4885MAOA 1058/4885KCNH2 1295/4885

“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.