SCHEMBL3209119

SCHEMBL3209119

O=C(O)N(Cc1ccccc1)C[C@@H]1CN(CC2Cn3c(=O)ccc4ccc(F)c2c43)C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
KCNH2 Q12809 4/20 0.35
LPAR1 Q92633 3/20 0.31
LPAR5 Q9H1C0 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL3394012 0.71 SLC2A1 (0.46) SLC2A1KCNH2
SCHEMBL3155543 0.69 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL3838900 0.66 KCNH2 (0.42) KCNH2
SCHEMBL4611499 0.65 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL3215036 0.65 CYP19A1 (0.40) SLC2A1KCNH2
SCHEMBL1723306 0.65 KCNH2 (0.45) SLC2A1KCNH2
SCHEMBL13070654 0.64 SLC2A1 (0.54) SLC2A1KCNH2
SCHEMBL2292976 0.62 KCNH2 (0.39) SLC2A1KCNH2
SCHEMBL2288096 0.62 KCNH2 (0.39) SLC2A1KCNH2
SCHEMBL3272153 0.62 KCNH2 (0.48) SLC2A1KCNH2

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 SLC2A1 4630/4885KCNH2 784/4885LPAR1 4760/4885

“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.