SCHEMBL24116643

SCHEMBL24116643

Cc1cnc(CNC(=O)CCCCNC(=O)COc2ccc(Cl)c(F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ATF4 P18848 9/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
GBA1 P04062 1/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 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
SCHEMBL24116821 0.87 ATF4 (0.44) ALDH1A1ATF4TDP1LMNAGRIN1
SCHEMBL21116595 0.85 ATF4 (0.45) ALDH1A1ATF4TDP1LMNATP53
SCHEMBL24323067 0.84 ATF4 (0.44) ALDH1A1ATF4
SCHEMBL24116849 0.84 ATF4 (0.42) ALDH1A1ATF4LMNAGRIN1GRIN2B
SCHEMBL24116692 0.84 HDAC3 (0.41) ALDH1A1ATF4
SCHEMBL24116822 0.83 SMN1; SMN2 (0.54) ALDH1A1TP53
SCHEMBL24116739 0.81 HDAC3 (0.47) ALDH1A1ATF4
SCHEMBL24116706 0.81 POLB (0.50) ALDH1A1ATF4LMNAGAATP53
SCHEMBL22669296 0.79 ATF4 (0.55) ALDH1A1ATF4GRIN1GRIN2BGBA1
SCHEMBL21117009 0.78 ATF4 (0.54) ATF4

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-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 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-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ALDH1A1 3433/4885ATF4 1/4885TDP1 2489/4885

“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.