SCHEMBL21116376

SCHEMBL21116376

CN(C)c1ccc(CNC(=O)CC(O)CCNC(=O)COc2ccc(Cl)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 7/20 0.44
ROCK2 O75116 2/20 0.44
LSS P48449 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
ROCK1 Q13464 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
SCHEMBL24116661 0.90 GAA (0.54) ATF4GAAALDH1A1LMNAMEN1
SCHEMBL21116451 0.90 HPGD (0.50) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL21116594 0.90 LMNA (0.51) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL21116986 0.90 ATF4 (0.47) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL21116391 0.88 ATF4 (0.44) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL24116645 0.86 ATF4 (0.44) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL21116584 0.86 ATF4 (0.44) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL24116715 0.86 ATF4 (0.44) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL21116588 0.86 ATF4 (0.44) ATF4GAAALDH1A1LMNASMN1; SMN2
SCHEMBL24116885 0.84 KMT2A (0.48) ATF4ALDH1A1LMNASMN1; SMN2TAOK1

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 1/4885ROCK2 2906/4885LSS 1105/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ROCK2 2906/4885LSS 1105/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ROCK2 2906/4885LSS 1105/4885

“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.