SCHEMBL3149833

SCHEMBL3149833

CC(C)(C)C(c1cc2c(cn1)OCCO2)N(C(=O)O)C1CCN(CC2Cn3c(=O)ccc4ccc(Br)c2c43)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.43
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3201907 0.91 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3215289 0.82 KCNH2 (0.38) KCNH2
SCHEMBL3154490 0.81 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3149825 0.79 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL3209310 0.76 KCNH2 (0.38) KCNH2
SCHEMBL3213956 0.76 SLC2A1 (0.41) KCNH2SLC2A1
SCHEMBL3840641 0.74 KCNH2 (0.51) KCNH2
SCHEMBL3150681 0.73 KCNH2 (0.51) KCNH2SLC2A1
SCHEMBL3149928 0.72 KCNH2 (0.40) KCNH2SLC2A1
SCHEMBL3201895 0.71 KCNH2 (0.46) KCNH2SLC2A1

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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB KCNH2 784/4885SLC2A1 4630/4885

“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.