SCHEMBL9930458

SCHEMBL9930458

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PDE10A Q9Y233 1/20 0.35
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.32
CCR3 P51677 1/20 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
SCHEMBL9930077 0.89 KCNH2 (0.36) MAOBMAOAPDE10AKCNH2
SCHEMBL9930165 0.88 MAOB (0.49) MAOBMAOAPDE10AKCNH2MCHR1
SCHEMBL14069348 0.86 MAOB (0.38) MAOBMAOAPDE10AKCNH2CYP11B1
SCHEMBL9930239 0.86 MAOB (0.45) MAOBMAOAPDE10AKCNH2CYP11B2
SCHEMBL9968533 0.85 MAOB (0.38) MAOBMAOAPDE10AKCNH2CYP11B1
SCHEMBL14069340 0.84 MAOA (0.41) MAOA
SCHEMBL9930143 0.84 MAOA (0.41) MAOA
SCHEMBL9929910 0.84 MAOB (0.34) MAOBMAOAKCNH2
SCHEMBL9930329 0.81 KCNJ1 (0.35) MAOBMAOAKCNH2
SCHEMBL9929884 0.77 MAOA (0.42) MAOBMAOAPDE10AKCNH2

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 761/4885MAOA 1058/4885PDE10A 1423/4885

“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.