SCHEMBL9964731

SCHEMBL9964731

CC(=O)NC[C@@H]1OC(=O)N2c3ccc4c(c3C[C@@H]12)C(F)(F)C(=O)N4C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.42
NQO2 P16083 1/20 0.37
F10 P00742 14/20 0.35
PTGS1 P23219 2/20 0.35
SDHA P31040 2/20 0.35
LMNA P02545 1/20 0.35
CALML3 P27482 1/20 0.35

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
SCHEMBL9968826 0.90 MAOA (0.35) MAOAMAOBCYP2C19KCNH2NQO2
SCHEMBL9968820 0.90 F10 (0.36) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL9964708 0.87 MAOA (0.43) MAOAMAOBCYP2C19KCNH2NQO2
SCHEMBL14069912 0.87 MAOA (0.43) MAOAMAOBCYP2C19KCNH2NQO2
SCHEMBL9964766 0.86 KCNH2 (0.35) KCNH2
SCHEMBL9964730 0.85 MAOA (0.49) MAOAMAOBCYP2C19KCNH2NQO2
SCHEMBL9968825 0.81 MAOA (0.33) MAOA
SCHEMBL9964745 0.80 MAOA (0.44) MAOAMAOBCYP2C19KCNH2F10
SCHEMBL14069172 0.79 NQO2 (0.36) MAOAMAOBCYP2C19KCNH2NQO2
SCHEMBL9964716 0.79 KCNH2 (0.45) MAOAMAOBCYP2C19KCNH2F10

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-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 MAOA 1058/4885MAOB 761/4885CYP2C19 47/4885

“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.