SCHEMBL9968660

SCHEMBL9968660

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
KCNH2 Q12809 2/20 0.38
CYP2C19 P33261 1/20 0.35
PDE10A Q9Y233 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
BDKRB1 P46663 9/20 0.33
FFAR1 O14842 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
F10 P00742 1/20 0.31
NAMPT P43490 1/20 0.31

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 0.93 MAOB (0.49) MAOBMAOAKCNH2CYP2C19PDE10A
SCHEMBL9931187 0.93 MAOB (0.49) MAOBMAOAKCNH2CYP2C19PDE10A
SCHEMBL9968664 0.90 KCNH2 (0.43) MAOBMAOAKCNH2CYP2C19PDE10A
SCHEMBL9968533 0.88 MAOB (0.38) MAOBMAOAKCNH2CYP2C19PDE10A
SCHEMBL9930911 0.88 MAOB (0.57) MAOBMAOAKCNH2PDE10ABDKRB1
SCHEMBL9930165 0.85 MAOB (0.49) MAOBMAOAKCNH2PDE10ABDKRB1
SCHEMBL13429563 0.83 KCNH2 (0.42) MAOBMAOAKCNH2PDE10ABDKRB1
SCHEMBL9930162 0.83 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL14069262 0.83 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL13429548 0.83 MAOB (0.46) MAOBMAOAKCNH2PDE10ABDKRB1

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 1058/4885KCNH2 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.