SCHEMBL21390326

SCHEMBL21390326

O=C(NC1CCNCC1)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.55
ATF4 P18848 3/20 0.51
PAK4 O96013 1/20 0.48
HTR7 P34969 1/20 0.48
CNR1 P21554 3/20 0.47
SMYD3 Q9H7B4 2/20 0.47
HPGDS O60760 1/20 0.47
CNR2 P34972 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
Hydrochloric Acid SCHEMBL21384495 0.99 SCN9A (0.54) SCN9AATF4PAK4HTR7CNR1
Trifluoroacetic Acid SCHEMBL21050218 0.92 SCN9A (0.56) SCN9AATF4PAK4HTR7
SCHEMBL28896405 0.87 CNR1 (0.60) SCN9AATF4HTR7CNR1CNR2
SCHEMBL21050164 0.86 ATF4 (0.52) SCN9AATF4HTR7CNR1SMYD3
SCHEMBL24225650 0.85 SMYD3 (0.57) SCN9AATF4HTR7CNR1SMYD3
SCHEMBL24997368 0.84 ATF4 (0.50) SCN9AATF4HTR7CNR1SMYD3
SCHEMBL21819546 0.83 ATF4 (0.56) SCN9AATF4HTR7CNR1SMYD3
SCHEMBL23920238 0.82 ATF4 (0.51) SCN9AATF4HTR7CNR1SMYD3
SCHEMBL23920500 0.82 CHRM1 (0.54) SCN9A
SCHEMBL21384267 0.82 ATF4 (0.55) SCN9AATF4HTR7CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250072-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. 2023-08-10 US disclosed
US-20230250072-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. 2023-08-10 US disclosed
US-11166942-B2 Inhibitors of integrated stress response pathway Praxis Biotech LLC (US) 2021-11-09 US disclosed
US-20210130308-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. 2021-05-06 US disclosed
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC 2020-04-02 US disclosed
WO-2019183589-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 DENALI THERAPEUTICS INC. (US) 2019-09-26 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 (4 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-20230250072-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 EIF2A, EIF4A2, EIF4EBP1 SCN9A 3136/4885ATF4 118/4885PAK4 2444/4885
US-11166942-B2 Inhibitors of integrated stress response pathway ATF4, DDIT3, ATF1 SCN9A 4611/4885ATF4 1/4885PAK4 1130/4885
US-20210130308-A1 MODULATORS OF EUKARYOTIC INITIATION FACTOR 2 EIF2A, EIF4A2, EIF4EBP1 SCN9A 3136/4885ATF4 118/4885PAK4 2444/4885
US-20200101047-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 SCN9A 4611/4885ATF4 1/4885PAK4 1130/4885

“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.