SCHEMBL9968573

SCHEMBL9968573

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cc(C(C)(C)OP(=O)(O)O)nn5)nc4)cc3C[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
CYP2C19 P33261 1/20 0.35
F10 P00742 13/20 0.32
P2RX7 Q99572 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
SCHEMBL9968587 0.94 KCNH2 (0.39) KCNH2F10P2RX7
SCHEMBL9964782 0.90 KCNH2 (0.49) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9930134 0.90 KCNH2 (0.49) KCNH2MAOBMAOACYP2C19F10
SCHEMBL14069907 0.90 KCNH2 (0.49) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9968586 0.88 KCNH2 (0.47) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9968580 0.86 MAOA (0.35) KCNH2MAOA
SCHEMBL9964773 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL13429763 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9930387 0.84 KCNH2 (0.51) KCNH2MAOBMAOACYP2C19F10
SCHEMBL9968650 0.84 KCNH2 (0.41) KCNH2F10P2RX7

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.