SCHEMBL22669296

SCHEMBL22669296

O=C(CCOc1ccc(Cl)c(F)c1)NCCCCNC(=O)COc1ccc(Cl)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 9/20 0.55
ALDH1A1 P00352 1/20 0.51
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
GBA1 P04062 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARG P37231 1/20 0.45
HTT P42858 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
MAPT P10636 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
SCHEMBL19555345 0.86 ALDH1A1 (0.55) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL22669060 0.86 ATF4 (0.52) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL22669308 0.85 ATF4 (0.48) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL24116706 0.83 POLB (0.50) ATF4ALDH1A1MEN1KMT2AHTT
SCHEMBL22669402 0.82 ATF4 (0.46) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL25796695 0.82 ALDH1A1 (0.59) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL25796705 0.82 ALDH1A1 (0.50) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL20999199 0.81 ALDH1A1 (0.52) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL25802434 0.81 ALDH1A1 (0.51) ATF4ALDH1A1GRIN1GRIN2BMEN1
SCHEMBL24116821 0.80 ATF4 (0.44) ATF4ALDH1A1GRIN1GRIN2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 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 (1 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885ALDH1A1 3433/4885GRIN1 1690/4885

“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.