SCHEMBL3201895

SCHEMBL3201895

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CC2Cn3c(=O)ccc4ccc(C#N)c2c43)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.46
SLC2A1 P11166 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL3149825 0.90 KCNH2 (0.46) KCNH2SLC2A1TOP2A
SCHEMBL3150681 0.90 KCNH2 (0.51) KCNH2SLC2A1TOP2A
SCHEMBL3209294 0.83 KCNH2 (0.40) KCNH2NR1H4
SCHEMBL19470012 0.82 TOP2A (0.44) KCNH2NR1H4TOP2A
SCHEMBL3201907 0.80 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3154490 0.79 KCNH2 (0.51) KCNH2SLC2A1TOP2A
SCHEMBL3150250 0.79 KCNH2 (0.71) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3223961 0.79 KCNH2 (0.70) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3205588 0.79 KCNH2 (0.70) KCNH2TOP2A
SCHEMBL3099943 0.76 KCNH2 (0.39) 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 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-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB KCNH2 784/4885SLC2A1 4630/4885NR1H4 2874/4885

“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.