SCHEMBL9964694

SCHEMBL9964694

CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5=NO[C@H](CO)C5)nc4)cc3C[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MIF P14174 11/20 0.35
KCNH2 Q12809 2/20 0.35
CALML3 P27482 3/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL14069266 0.94 KCNH2 (0.40) MAOBMAOAMIFKCNH2CALML3
SCHEMBL14069199 0.94 KCNH2 (0.40) MAOBMAOAMIFKCNH2CALML3
SCHEMBL9930253 0.94 KCNH2 (0.40) MAOBMAOAMIFKCNH2CALML3
SCHEMBL14069816 0.92 MAOB (0.36) MAOBMAOAMIFKCNH2CALML3
SCHEMBL9930418 0.89 MAOB (0.38) MAOBMAOAMIFKCNH2CYP2C19
SCHEMBL14069311 0.89 MAOB (0.38) MAOBMAOAMIFKCNH2CYP2C19
SCHEMBL14069339 0.89 MAOB (0.45) MAOBMAOAMIFKCNH2CALML3
SCHEMBL9930626 0.89 MAOB (0.45) MAOBMAOAMIFKCNH2CALML3
SCHEMBL9929910 0.89 MAOB (0.34) MAOBMAOAMIFKCNH2CALML3
SCHEMBL9968481 0.88 MAOB (0.38) MAOBMAOAMIFKCNH2CYP2C19

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 1058/4885MIF 852/4885

“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.