SCHEMBL9930501

SCHEMBL9930501

CN(C[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cc(CO)nn5)nc4)cc3C[C@@H]12)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
AOC3 Q16853 1/20 0.32
P2RX7 Q99572 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9930295 0.89 KCNH2 (0.34) KCNH2AOC3
SCHEMBL13429771 0.88 KCNH2 (0.40) KCNH2P2RX7
SCHEMBL9929851 0.87 KCNH2 (0.36) KCNH2AOC3
SCHEMBL9930160 0.86 KCNJ1 (0.36) KCNH2
SCHEMBL14069206 0.86 KCNH2 (0.40) KCNH2P2RX7ALDH1A1MAPTHPGD
SCHEMBL9930387 0.85 KCNH2 (0.51) KCNH2P2RX7
SCHEMBL13429763 0.85 KCNH2 (0.51) KCNH2P2RX7
SCHEMBL14069903 0.84 KCNH2 (0.42) KCNH2P2RX7
SCHEMBL9968638 0.84 KCNH2 (0.42) KCNH2P2RX7
SCHEMBL9964935 0.82 MAOA (0.40) 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 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 1295/4885AOC3 982/4885P2RX7 1172/4885

“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.