SCHEMBL9964889

SCHEMBL9964889

O=C1O[C@@H](Cn2ccnn2)[C@@H]2Cc3cc(-c4ccc(C5=NOC(CN6CCOCC6)C5)nc4)ccc3N12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 2/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL14069369 1.00 MAOA (0.39) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964789 0.90 MAOA (0.35) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9964893 0.90 KCNH2 (0.39) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL14069360 0.90 KCNH2 (0.39) MAOAMAOBKCNH2CYP3A4CYP2D6
SCHEMBL9968583 0.84 KCNH2 (0.34) MAOAMAOBKCNH2CYP3A4
SCHEMBL4553690 0.84 KCNH2 (0.47) MAOAMAOBKCNH2CYP3A4
SCHEMBL14069387 0.84 KCNH2 (0.47) MAOAMAOBKCNH2CYP3A4
SCHEMBL14069837 0.83 KCNH2 (0.31) KCNH2
SCHEMBL9930570 0.83 KCNH2 (0.33) KCNH2
SCHEMBL9968506 0.82 KCNH2 (0.39) KCNH2

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-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 MAOA 1058/4885MAOB 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.