SCHEMBL21819558

SCHEMBL21819558

O=C(O)NC1CCN(NC(=O)C2Cc3cc(Cl)ccc3O2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATF4 P18848 6/20 0.46
▸ SCN3A Q9NY46 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ JAK3 P52333 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL21050174 0.87 KMT2A (0.54) GLSMEN1KMT2AATF4SCN3A
SCHEMBL21882373 0.86 ATF4 (0.44) GLSMEN1KMT2AATF4SCN3A
SCHEMBL23920621 0.82 KMT2A (0.58) GLSMEN1KMT2AATF4SCN3A
Trifluoroacetic Acid SCHEMBL21819474 0.81 MEN1 (0.45) GLSMEN1KMT2AATF4SCN3A
SCHEMBL28588205 0.81 MEN1 (0.46) GLSMEN1KMT2AATF4SCN3A
SCHEMBL23202693 0.80 MEN1 (0.43) GLSMEN1KMT2AATF4SCN3A
SCHEMBL21819334 0.79 ATF4 (0.76) ATF4
Trifluoroacetic Acid SCHEMBL21819469 0.78 MEN1 (0.45) GLSMEN1KMT2AATF4SCN3A
SCHEMBL24225710 0.77 MEN1 (0.53) GLSMEN1KMT2AATF4SCN3A
SCHEMBL21819674 0.76 STS (0.46) GLSMEN1KMT2ASCN3ACYP3A4

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-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 — — US disclosed
EP-3801522-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2021-04-14 — — EP disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 — — 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 (2 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-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 GLS 319/4885MEN1 4345/4885KMT2A 4528/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 GLS 319/4885MEN1 4345/4885KMT2A 4528/4885

“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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