SCHEMBL9930911

SCHEMBL9930911

Cn1nnc(-c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](CO)[C@@H]3C4)cn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
MAOA P21397 1/20 0.57
KCNH2 Q12809 2/20 0.38
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
GRM2 Q14416 2/20 0.32
MTOR P42345 2/20 0.32
CALML3 P27482 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TNKS O95271 1/20 0.31
BDKRB1 P46663 3/20 0.31
GPER1 Q99527 1/20 0.31
TK1 P04183 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
SCHEMBL9931187 0.89 MAOB (0.49) MAOBMAOAKCNH2PDE10AFFAR1
SCHEMBL14069264 0.89 MAOB (0.49) MAOBMAOAKCNH2PDE10AFFAR1
SCHEMBL9930165 0.89 MAOB (0.49) MAOBMAOAKCNH2PDE10ANPC1
SCHEMBL14069262 0.89 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL9930162 0.89 MAOA (0.49) MAOBMAOACYP2C9
SCHEMBL13429561 0.88 MAOA (0.50) MAOBMAOAKCNH2PDE10AMTOR
SCHEMBL9968660 0.88 MAOB (0.48) MAOBMAOAKCNH2PDE10ANPC1
SCHEMBL13424134 0.86 MAOA (0.54) MAOBMAOAKCNH2PDE10AMTOR
SCHEMBL13456821 0.85 MAOB (0.46) MAOBMAOAKCNH2PDE10ANPC1
SCHEMBL13429544 0.85 MAOB (0.46) MAOBMAOAKCNH2PDE10ANPC1

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 4 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
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO 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.