SCHEMBL9930084

SCHEMBL9930084

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(C4=CC[S+]([O-])CC4)cc3C[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 14/20 0.34
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
CALML3 P27482 1/20 0.32
SDHA P31040 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL4554664 0.92 KCNH2 (0.35) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9964815 0.84 KCNH2 (0.46) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9930468 0.84
SCHEMBL4555076 0.82 MAOA (0.47) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9964911 0.82 KCNH2 (0.44) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9929840 0.82 MAOA (0.46) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9930383 0.80 KCNH2 (0.42) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9964912 0.80 KCNH2 (0.42) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9092477 0.79 KCNH2 (0.53) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9090265 0.79 KCNH2 (0.53) KCNH2MAOBMAOACYP2C19F10

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 KCNH2 1295/4885MAOB 761/4885MAOA 1058/4885

“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.