SCHEMBL9968536

SCHEMBL9968536

COC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
MAOB P27338 2/20 0.38
KLKB1 P03952 2/20 0.36
MAOA P21397 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNJ1 P48048 10/20 0.34
F11 P03951 2/20 0.33
KLK1 P06870 2/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL4434027 0.93 KCNH2 (0.46) KCNH2MAOBKLKB1MAOACYP2C19
SCHEMBL14069354 0.90 KCNH2 (0.36) KCNH2MAOBKLKB1MAOACYP2C19
SCHEMBL9968665 0.89 KCNH2 (0.43) KCNH2KLKB1KCNJ1F11KLK1
SCHEMBL9968684 0.85 TDO2 (0.43) KCNH2MAOBMAOACYP2C19EGLN1
SCHEMBL9968532 0.84 KCNH2 (0.40) KCNH2MAOBMAOACYP2C19EGLN1
SCHEMBL9930329 0.84 KCNJ1 (0.35) KCNH2MAOBKLKB1MAOAKCNJ1
SCHEMBL14069844 0.84 KCNH2 (0.40) KCNH2MAOBMAOACYP2C19EGLN1
SCHEMBL13429617 0.83 KCNH2 (0.42) KCNH2KCNJ1F11EGLN1
SCHEMBL9930487 0.83 MAOA (0.41) MAOA
SCHEMBL14069347 0.83 MAOA (0.41) MAOA

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 761/4885KLKB1 3350/4885

“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.