SCHEMBL21116656

SCHEMBL21116656

C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
ATF4 P18848 7/20 0.43
MAOB P27338 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.40
ANO1 Q5XXA6 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
LMNA P02545 1/20 0.40
ADAMTS5 Q9UNA0 2/20 0.39
MEN1 O00255 1/20 0.39
NPY1R P25929 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
SCHEMBL24322842 0.93 SGMS1 (0.47) HTTGAAALOX12ATF4ALDH1A1
SCHEMBL21117004 0.91 KMT2A (0.47) HTTL3MBTL1ATF4ALDH1A1KMT2A
SCHEMBL21116591 0.91 KMT2A (0.48) HTTATF4ALDH1A1KMT2ALMNA
SCHEMBL21116606 0.90 ATF4 (0.45) HTTGAAATF4ALDH1A1TAOK1
SCHEMBL24322876 0.89 ATF4 (0.45) HTTGAAATF4ALDH1A1TAOK1
SCHEMBL24116960 0.89 TAOK1 (0.51) ATF4ALDH1A1TAOK1TAOK3ADAMTS5
SCHEMBL21117003 0.88 MAPK14 (0.43) HTTATF4ALDH1A1
SCHEMBL21116646 0.88 ATF4 (0.46) HTTATF4ALDH1A1KMT2AMEN1
SCHEMBL24324507 0.87 LMNA (0.49) HTTGAAATF4ALDH1A1KMT2A
SCHEMBL24116936 0.86 ATF4 (0.46) HTTATF4ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 EP disclosed
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 HTT 2496/4885GAA 2139/4885ALOX12 420/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 HTT 2496/4885GAA 2139/4885ALOX12 420/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 HTT 2496/4885GAA 2139/4885ALOX12 420/4885

“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.