SCHEMBL5635574

SCHEMBL5635574

CC(C)(C)OC(=O)n1c(-c2ccc([N+](=O)[O-])cc2)cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.67
NR1H3 Q13133 3/20 0.63
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL23320505 0.87 CYP19A1 (0.59) NR1H2NR1H3
SCHEMBL15727387 0.86 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL14367891 0.85 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL2884571 0.84 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL17220643 0.84 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL26670152 0.84 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL17220651 0.83 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL31282085 0.83 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL19181944 0.83 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL17220658 0.83 NR1H2 (0.72) NR1H2NR1H3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 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-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 NR1H2 3126/4885NR1H3 3380/4885CA12 4375/4885

“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.