SCHEMBL9968532

SCHEMBL9968532

COC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
MAOB P27338 2/20 0.40
F10 P00742 15/20 0.39
MAOA P21397 1/20 0.39
CYP2C19 P33261 1/20 0.39
WDR5 P61964 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL14069844 1.00 KCNH2 (0.40) KCNH2MAOBF10MAOACYP2C19
SCHEMBL14069342 0.92 MAOB (0.48) KCNH2MAOBF10MAOACYP2C19
SCHEMBL4438098 0.92 MAOB (0.48) KCNH2MAOBF10MAOACYP2C19
SCHEMBL9968684 0.90 TDO2 (0.43) KCNH2MAOBF10MAOACYP2C19
SCHEMBL14069838 0.89 KCNH2 (0.46) KCNH2F10CYP3A4CYP2C8CYP2C9
SCHEMBL9968663 0.89 KCNH2 (0.46) KCNH2F10CYP3A4CYP2C8CYP2C9
SCHEMBL9968536 0.84 KCNH2 (0.38) KCNH2MAOBMAOACYP2C19EGLN1
SCHEMBL9964941 0.82 MAOB (0.48) KCNH2MAOBF10MAOACYP2C19
SCHEMBL9929681 0.81 KCNH2 (0.55) KCNH2MAOBF10MAOACYP2C19
SCHEMBL14069247 0.81 KCNH2 (0.55) KCNH2MAOBF10MAOACYP2C19

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 761/4885F10 2649/4885

“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.