SCHEMBL21118137

SCHEMBL21118137

NCCOc1nonc1-c1noc(=O)n1-c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ AR P10275 6/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ RXRA P19793 9/20 0.34
▸ GRIN1 Q05586 9/20 0.34
▸ GRIN2B Q13224 9/20 0.34

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
SCHEMBL19004282 0.86 IDO1 (0.51) IDO1RXRAGRIN1GRIN2B
SCHEMBL21326537 0.86 IDO1 (0.40) IDO1PIK3CA
Hydrochloric Acid SCHEMBL20584769 0.85 IDO1 (0.51) IDO1RXRAGRIN1GRIN2B
SCHEMBL21393543 0.85 IDO1 (0.40) IDO1RXRAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL29694899 0.85 IDO1 (0.51) IDO1RXRAGRIN1GRIN2B
SCHEMBL21393614 0.84 CYP1A2 (0.41) IDO1
SCHEMBL21118309 0.83 IDO1 (0.37) IDO1ARRXRAGRIN1GRIN2B
SCHEMBL30449560 0.82 IDO1 (0.41) IDO1ARPIK3CA
SCHEMBL20198943 0.82 IDO1 (0.41) IDO1ARPIK3CA
SCHEMBL21118120 0.81 IDO1 (0.51) IDO1RXRAGRIN1GRIN2B

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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 — — US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 — — US disclosed
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 — — 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 (3 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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT IDO1 1/4885AR 2332/4885PIK3CA 4048/4885
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT IDO1 1/4885AR 2627/4885PIK3CA 4004/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885AR 2332/4885PIK3CA 4048/4885

“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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