SCHEMBL21116989

SCHEMBL21116989

O=C(COc1ccc(Cl)c(F)c1)NCCC(O)CC(=O)NCc1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 13/20 0.44
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24116662 0.88 SMN1; SMN2 (0.52) ATF4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL21116401 0.88 ATF4 (0.44) ATF4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL21116595 0.87 ATF4 (0.45) ATF4ALDH1A1
SCHEMBL21116979 0.85 ATF4 (0.43) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116383 0.84 ATF4 (0.42) ATF4RXFP1SMN1; SMN2ALDH1A1
SCHEMBL24116908 0.84 ATF4 (0.43) ATF4ALDH1A1
SCHEMBL21116981 0.84 ATF4 (0.44) ATF4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL21116587 0.83 ATF4 (0.42) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116448 0.83 ATF4 (0.42) ATF4ALDH1A1MEN1KMT2A
SCHEMBL21116408 0.83 ATF4 (0.42) ATF4ALDH1A1MEN1KMT2A

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-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 US disclosed
US-10836725-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2020-11-17 US disclosed
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2019-06-27 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 (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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885RXFP1 2368/4885SMN1; SMN2 2486/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885RXFP1 2368/4885SMN1; SMN2 2486/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885RXFP1 2368/4885SMN1; SMN2 2486/4885

“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.