SCHEMBL9930117

SCHEMBL9930117

N#C[C@@H]1OC(=O)N2c3ccc(-c4cccnc4)cc3C[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 15/20 0.48
▸ CYP11B1 P15538 14/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ CYP17A1 P05093 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ SRD5A1 P18405 1/20 0.43
▸ AR P10275 1/20 0.42

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
SCHEMBL14069832 1.00 CYP11B2 (0.48) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL13429861 0.80 CYP11B1 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL9930356 0.77 HDAC1 (0.34) SRD5A1AR
SCHEMBL9930190 0.75 CYP3A4 (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL9091469 0.75 KCNH2 (0.54) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL13429859 0.75 KCNH2 (0.54) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL14069498 0.75 KCNH2 (0.54) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL14069834 0.75 CYP3A4 (0.46) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL9090163 0.75 KCNH2 (0.54) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL14069890 0.69 CYP11B2 (0.45) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1

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 4 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
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 — — US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 — — WO 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 CYP11B2 429/4885CYP11B1 458/4885CYP1A2 349/4885

“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.

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