SCHEMBL9964712

SCHEMBL9964712

CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c4c(c3C[C@@H]12)OCC(=O)N4C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
MAOA P21397 4/20 0.51
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 3/20 0.40
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CALML3 P27482 1/20 0.35
SDHA P31040 1/20 0.35
F10 P00742 14/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9964734 0.86 MAOA (0.51) MAOBMAOACYP2C19KCNH2LMNA
SCHEMBL9964706 0.86 MAOA (0.34) MAOBMAOACYP2C19
SCHEMBL9964711 0.85 MAOA (0.51) MAOBMAOACYP2C19KCNH2LMNA
SCHEMBL14069451 0.85 MAOA (0.34) MAOBMAOACYP2C19
SCHEMBL9968483 0.84 MAOB (0.48) MAOBMAOACYP2C19KCNH2LMNA
SCHEMBL14069884 0.83 MAOA (0.49) MAOBMAOACYP2C19KCNH2LMNA
SCHEMBL9964701 0.83 MAOA (0.49) MAOBMAOACYP2C19KCNH2LMNA
SCHEMBL9968808 0.81 CYP2E1 (0.40) MAOBMAOACYP2C19
SCHEMBL9964714 0.80 MAOA (0.32) MAOBMAOACYP2C19
SCHEMBL14069193 0.80 MAOA (0.32) MAOBMAOACYP2C19

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 3 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
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 1058/4885CYP2C19 47/4885

“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.