SCHEMBL9930165

SCHEMBL9930165

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
PDE10A Q9Y233 1/20 0.35
FFAR1 O14842 3/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
BDKRB1 P46663 8/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MCHR1 Q99705 1/20 0.32
GPER1 Q99527 1/20 0.32
NPC1 O15118 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TNKS O95271 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
SCHEMBL9929884 0.89 MAOA (0.42) MAOBMAOAPDE10AFFAR1KCNH2
SCHEMBL9930911 0.89 MAOB (0.57) MAOBMAOAPDE10AFFAR1CYP2C8
SCHEMBL9930458 0.88 MAOB (0.36) MAOBMAOAPDE10AKCNH2MCHR1
SCHEMBL14069264 0.86 MAOB (0.49) MAOBMAOAPDE10AFFAR1CYP2C8
SCHEMBL9931187 0.86 MAOB (0.49) MAOBMAOAPDE10AFFAR1CYP2C8
SCHEMBL9968660 0.85 MAOB (0.48) MAOBMAOAPDE10AFFAR1CYP2C8
SCHEMBL14069262 0.84 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL9930162 0.84 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL9929910 0.82 MAOB (0.34) MAOBMAOAKCNH2TNKS
SCHEMBL13429548 0.82 MAOB (0.46) MAOBMAOAPDE10AKCNH2BDKRB1

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.