SCHEMBL9968664

SCHEMBL9968664

COC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5nnn(C)n5)nc4)cc3C[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PDE10A Q9Y233 1/20 0.34
F10 P00742 10/20 0.33
NAMPT P43490 2/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TYK2 P29597 1/20 0.31
CYP2C19 P33261 1/20 0.31
F2R P25116 1/20 0.31

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
SCHEMBL13429563 0.93 KCNH2 (0.42) KCNH2MAOAMAOBPDE10AF10
SCHEMBL9930537 0.92 KCNH2 (0.51) KCNH2MAOAMAOBPDE10AF10
SCHEMBL13429533 0.91 KCNH2 (0.43) KCNH2MAOAMAOBPDE10AF10
SCHEMBL9968660 0.90 MAOB (0.48) KCNH2MAOAMAOBPDE10AF10
SCHEMBL9968662 0.88 KCNH2 (0.43) KCNH2MAOAMAOBPDE10AF10
SCHEMBL13429561 0.87 MAOA (0.50) KCNH2MAOAMAOBPDE10ANAMPT
SCHEMBL13429558 0.86 MAOA (0.45) KCNH2MAOAMAOBPDE10AWNT1
SCHEMBL13429665 0.85 MAOA (0.44) KCNH2MAOAMAOBPDE10AWNT1
SCHEMBL13429560 0.85 MAOA (0.44) KCNH2MAOAMAOBPDE10AWNT1
SCHEMBL13423973 0.84 MAOA (0.43) KCNH2MAOAMAOBPDE10A

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 2 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS GORDEEV MIKHAIL FEDOROVICH 2010-03-18 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 (2 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-20100069441-A1 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS IDO1, IDO2, INMT KCNH2 1145/4885MAOA 77/4885MAOB 53/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNH2 1295/4885MAOA 1058/4885MAOB 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.