SCHEMBL27014198

SCHEMBL27014198

CC(F)c1cnc(C(=O)NC23CC(NC(=O)C4COc5cc(Cl)c(Cl)cc5O4)(C2)C3)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
BACE1 P56817 5/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 2/20 0.34
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL22617237 0.93 BACE1 (0.38) ALDH1A1GAAPOLBBACE1BACE2
SCHEMBL27014196 0.78 GAA (0.39) ALDH1A1GAAPOLBBACE1BACE2
SCHEMBL22617203 0.78 GAA (0.40) ALDH1A1GAAPOLBBACE1BACE2
SCHEMBL29495435 0.78 GAA (0.40) ALDH1A1GAAPOLBBACE1BACE2
SCHEMBL22397127 0.75 POLB (0.43) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL27014229 0.74 BACE1 (0.35) BACE1BACE2KCNH2
SCHEMBL22397081 0.73 POLB (0.37) ALDH1A1GAAPOLBHPGDTDP1
SCHEMBL22617280 0.73 POLB (0.46) ALDH1A1GAAPOLBHPGDRAB9A
SCHEMBL23483845 0.72 POLB (0.35) ALDH1A1GAAPOLBBACE1BACE2
SCHEMBL22617295 0.71 BACE1 (0.39) ALDH1A1BACE1BACE2HPGDTDP1

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-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 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-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ALDH1A1 3472/4885GAA 2054/4885POLB 1759/4885

“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.