SCHEMBL26424984

SCHEMBL26424984

O=C(OCCSc1ccc([N+](=O)[O-])c2nonc12)c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.58
▸ GSTP1 P09211 18/20 0.54
▸ GSTM2 P28161 18/20 0.54

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
SCHEMBL26424615 0.91 GSTP1 (0.55) IDO1GSTP1GSTM2
SCHEMBL3712753 0.80 GSTP1 (0.65) GSTP1GSTM2
SCHEMBL26797778 0.79 GSTP1 (0.70) IDO1GSTP1GSTM2
SCHEMBL14959168 0.78 GSTP1 (0.64) IDO1GSTP1GSTM2
SCHEMBL26425058 0.77 GSTP1 (0.64) GSTP1GSTM2
SCHEMBL296924 0.74 IDO1 (1.00) IDO1GSTP1GSTM2
SCHEMBL300204 0.73 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL3502370 0.72 GSTP1 (0.74) GSTP1GSTM2
SCHEMBL13906505 0.71 GSTP1 (0.76) IDO1GSTP1GSTM2
SCHEMBL30599546 0.71 GSTP1 (0.57) GSTP1GSTM2

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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof Atomwise Inc. 2023-04-27 — — US disclosed
US-20230128972-A1 Anat Inhibitors and Methods of Use Thereof Atomwise Inc. 2023-04-27 — — 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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof AANAT, CHAT, NAT1 IDO1 1109/4885GSTP1 624/4885GSTM2 510/4885

“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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