SCHEMBL9968684

SCHEMBL9968684

COC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCNC5=O)nc4)cc3C[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.43
MAOB P27338 2/20 0.41
KCNH2 Q12809 2/20 0.41
MAOA P21397 1/20 0.38
CYP2C19 P33261 1/20 0.38
F10 P00742 4/20 0.36
WDR5 P61964 9/20 0.35
ROCK2 O75116 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34

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
SCHEMBL9964941 0.92 MAOB (0.48) TDO2MAOBKCNH2MAOACYP2C19
SCHEMBL9968532 0.90 KCNH2 (0.40) MAOBKCNH2MAOACYP2C19F10
SCHEMBL14069844 0.90 KCNH2 (0.40) MAOBKCNH2MAOACYP2C19F10
SCHEMBL9968536 0.85 KCNH2 (0.38) MAOBKCNH2MAOACYP2C19EGLN1
SCHEMBL4438098 0.82 MAOB (0.48) TDO2MAOBKCNH2MAOACYP2C19
SCHEMBL14069342 0.82 MAOB (0.48) TDO2MAOBKCNH2MAOACYP2C19
SCHEMBL9968533 0.81 MAOB (0.38) MAOBKCNH2MAOACYP2C19
SCHEMBL9968836 0.81 KCNH2 (0.41) MAOBKCNH2MAOACYP2C19EGLN1
SCHEMBL14069468 0.80 KCNH2 (0.42) MAOBKCNH2MAOACYP2C19F10
SCHEMBL9968837 0.80 KCNH2 (0.42) MAOBKCNH2MAOACYP2C19F10

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 TDO2 951/4885MAOB 761/4885KCNH2 1295/4885

“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.