SCHEMBL9968583

SCHEMBL9968583

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
MAOA P21397 16/20 0.33
MAOB P27338 1/20 0.30
CYP3A4 P08684 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
SCHEMBL14069360 0.90 KCNH2 (0.39) KCNH2MAOAMAOBCYP3A4
SCHEMBL9964893 0.90 KCNH2 (0.39) KCNH2MAOAMAOBCYP3A4
SCHEMBL9964789 0.88 MAOA (0.35) KCNH2MAOAMAOBCYP3A4
SCHEMBL14069369 0.84 MAOA (0.39) KCNH2MAOAMAOBCYP3A4
SCHEMBL9964889 0.84 MAOA (0.39) KCNH2MAOAMAOBCYP3A4
SCHEMBL9968582 0.84 KCNH2 (0.48) KCNH2MAOAMAOB
SCHEMBL9968567 0.83 KCNH2 (0.41) KCNH2
SCHEMBL9968568 0.82 MAOA (0.34) KCNH2MAOAMAOBCYP3A4
SCHEMBL9929992 0.80 MAOA (0.43) MAOACYP3A4
SCHEMBL14069245 0.80 MAOA (0.43) MAOACYP3A4

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 1295/4885MAOA 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.