SCHEMBL9964868

SCHEMBL9964868

CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cncn5)nc4)cc3C[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
F10 P00742 9/20 0.45
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.33
KCNJ1 P48048 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL13429835 1.00 KCNH2 (0.52) KCNH2F10MAOBMAOACYP2C19
SCHEMBL12064730 0.88 KCNH2 (0.68) KCNH2F10MAOBMAOACYP2C19
SCHEMBL13429812 0.87 KCNH2 (0.38) KCNH2F10KDM4EALDH1A1POLB
SCHEMBL9930022 0.87 KCNH2 (0.52) KCNH2F10MAOBMAOACYP2C19
SCHEMBL14069788 0.87 KCNH2 (0.52) KCNH2F10MAOBMAOACYP2C19
SCHEMBL9930200 0.86 KCNH2 (0.53) KCNH2F10MAOBMAOACYP2C19
SCHEMBL14069901 0.86 KCNH2 (0.53) KCNH2F10MAOBMAOACYP2C19
SCHEMBL13429763 0.84 KCNH2 (0.51) KCNH2F10MAOBMAOACYP2C19
SCHEMBL9930387 0.84 KCNH2 (0.51) KCNH2F10MAOBMAOACYP2C19
SCHEMBL9964773 0.84 KCNH2 (0.51) KCNH2F10MAOBMAOACYP2C19

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 3 patents. 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
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO 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 1295/4885F10 2649/4885MAOB 761/4885

“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.