SCHEMBL24116707

SCHEMBL24116707

O=C(COc1ccc(Cl)c(F)c1)NCCCCC(=O)Nc1ccc(OC(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ ATF4 P18848 4/20 0.40
▸ GFER P55789 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HDAC8 Q9BY41 7/20 0.39
▸ HDAC1 Q13547 7/20 0.39
▸ HDAC3 O15379 6/20 0.39
▸ HDAC4 P56524 5/20 0.39
▸ HDAC7 Q8WUI4 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC10 Q969S8 5/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ HDAC6 Q9UBN7 5/20 0.39
▸ HDAC9 Q9UKV0 5/20 0.39
▸ HDAC5 Q9UQL6 5/20 0.39
▸ SYK P43405 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDGFRB P09619 2/20 0.38

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
SCHEMBL24116617 0.90 GRIN1 (0.40) GRIN1GRIN2BATF4GFERALDH1A1
SCHEMBL24116584 0.88 ALDH1A1 (0.41) GRIN1GRIN2BATF4GFERALDH1A1
SCHEMBL22627974 0.85 TDP1 (0.51) ATF4ALDH1A1
SCHEMBL24116604 0.84 GRIN1 (0.39) GRIN1GRIN2BATF4ALDH1A1SYK
SCHEMBL24116615 0.84 ATF4 (0.43) ATF4ALDH1A1HDAC8HDAC1HDAC3
SCHEMBL25960311 0.83 SYK (0.38) ATF4GFERALDH1A1SYKFFAR4
SCHEMBL25796793 0.83 TDP1 (0.53) ATF4
SCHEMBL22627559 0.78 ATF4 (0.41) ATF4ALDH1A1
SCHEMBL22627948 0.78 MEN1 (0.46) ATF4ALDH1A1FFAR4
SCHEMBL23455838 0.77 ATF4 (0.52) ATF4SMN1; SMN2KDRBRAF

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 GRIN1 1690/4885GRIN2B 2324/4885ATF4 1/4885

“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.

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