SCHEMBL9964727

SCHEMBL9964727

CN1C(=O)COc2c1ccc1c2C[C@H]2[C@H](Cn3ccnn3)OC(=O)N12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
KCNH2 Q12809 3/20 0.32
HTR1A P08908 2/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
SLC6A4 P31645 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL9964759 0.85 MAOA (0.36) MAOAMAOBKCNH2
SCHEMBL9964721 0.84 MAOA (0.36) MAOAMAOBPDE3BPDE3AKCNH2
SCHEMBL9964729 0.84 MAOA (0.36) MAOAMAOBKCNH2HTR1AHTR1D
SCHEMBL14069668 0.84 MAOA (0.36) MAOAMAOBKCNH2HTR1AHTR1D
SCHEMBL14069449 0.81 CYP11B1 (0.32) PDE3BPDE3AKCNH2HTR1AHTR1D
SCHEMBL9964732 0.81 MAOA (0.36) MAOAMAOBKCNH2
SCHEMBL9964757 0.78 MAOA (0.36) MAOAMAOBKCNH2
SCHEMBL9964762 0.77 MAOA (0.35) MAOAMAOBKCNH2
SCHEMBL9968810 0.75 MAOA (0.32) MAOAKCNH2
SCHEMBL14069246 0.74 MAOA (0.41) MAOAMAOBKCNH2

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
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 MAOA 1058/4885MAOB 761/4885PDE3B 738/4885

“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.