SCHEMBL9968533

SCHEMBL9968533

COC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-c5nnnn5C)nc4)cc3C[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
KCNH2 Q12809 2/20 0.38
MAOA P21397 2/20 0.35
CYP2C19 P33261 1/20 0.35
PDE10A Q9Y233 1/20 0.34
LIPG Q9Y5X9 1/20 0.32
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
SCHEMBL9930239 0.93 MAOB (0.45) MAOBKCNH2MAOACYP2C19PDE10A
SCHEMBL14069348 0.90 MAOB (0.38) MAOBKCNH2MAOACYP2C19PDE10A
SCHEMBL9968662 0.90 KCNH2 (0.43) MAOBKCNH2MAOACYP2C19PDE10A
SCHEMBL9968660 0.88 MAOB (0.48) MAOBKCNH2MAOACYP2C19PDE10A
SCHEMBL9930458 0.85 MAOB (0.36) MAOBKCNH2MAOAPDE10ACYP11B1
SCHEMBL9968481 0.84 MAOB (0.38) MAOBKCNH2MAOACYP2C19
SCHEMBL14069340 0.84 MAOA (0.41) MAOA
SCHEMBL9930143 0.84 MAOA (0.41) MAOA
SCHEMBL13429591 0.83 KCNH2 (0.42) KCNH2PDE10ACYP11B1CYP11B2
SCHEMBL4436007 0.83 KCNH2 (0.45) MAOBKCNH2MAOACYP2C19PDE10A

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-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 761/4885KCNH2 1295/4885MAOA 1058/4885

“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.