SCHEMBL9964893

SCHEMBL9964893

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
MAOA P21397 17/20 0.37
MAOB P27338 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 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
SCHEMBL14069360 1.00 KCNH2 (0.39) KCNH2MAOAMAOBCYP3A4CYP2D6
SCHEMBL9964789 0.94 MAOA (0.35) KCNH2MAOAMAOBCYP3A4CYP2D6
SCHEMBL9968583 0.90 KCNH2 (0.34) KCNH2MAOAMAOBCYP3A4
SCHEMBL9964889 0.90 MAOA (0.39) KCNH2MAOAMAOBCYP3A4CYP2D6
SCHEMBL14069369 0.90 MAOA (0.39) KCNH2MAOAMAOBCYP3A4CYP2D6
SCHEMBL14069245 0.89 MAOA (0.43) MAOACYP3A4CYP2D6
SCHEMBL9929992 0.89 MAOA (0.43) MAOACYP3A4CYP2D6
SCHEMBL9964897 0.87 MAOA (0.43) MAOAMAOBCYP3A4CYP2D6
SCHEMBL14069358 0.86 KCNH2 (0.42) KCNH2
SCHEMBL14069365 0.85 KCNH2 (0.36) KCNH2MAOAMAOBCYP3A4

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 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.