SCHEMBL9930089

SCHEMBL9930089

CC(=O)N(C[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cnnn5)nc4)cc3C[C@@H]12)C(=O)OCCl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.35
KCNH2 Q12809 3/20 0.35
F11 P03951 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
Hydrochloric Acid SCHEMBL9930002 0.86 IARS1 (0.32) KCNH2
SCHEMBL9930091 0.85 KCNH2 (0.33) KCNJ1KCNH2
SCHEMBL9964926 0.85 KCNH2 (0.37) KCNH2
SCHEMBL9930160 0.84 KCNJ1 (0.36) KCNJ1KCNH2
SCHEMBL9930650 0.82 KCNH2 (0.30) KCNH2
SCHEMBL13429614 0.82 KCNH2 (0.47) KCNJ1KCNH2
SCHEMBL13429532 0.82 KCNH2 (0.38) KCNJ1KCNH2
SCHEMBL14069788 0.82 KCNH2 (0.52) KCNJ1KCNH2
SCHEMBL9930022 0.82 KCNH2 (0.52) KCNJ1KCNH2
SCHEMBL9968665 0.81 KCNH2 (0.43) KCNJ1KCNH2F11

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 KCNJ1 1196/4885KCNH2 1295/4885F11 2852/4885

“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.