SCHEMBL20999599

SCHEMBL20999599

CC1(NCCOc2ccc(Cl)cc2F)C=C(NC(=O)COc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ S1PR4 O95977 1/20 0.38
▸ ATF4 P18848 2/20 0.38
▸ FFAR1 O14842 4/20 0.38
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL20999624 0.88 FFAR1 (0.41) ATF4FFAR1KCNJ6KCNJ5KCNJ3
SCHEMBL20999207 0.88 GRIN1 (0.49) GRIN1GRIN2BLMNAKDM4EALDH1A1
SCHEMBL19569439 0.83 ATF4 (0.42) GRIN1GRIN2BLMNAKDM4EALDH1A1
SCHEMBL19555299 0.80 ATF4 (0.53) GRIN1GRIN2BATF4
SCHEMBL20999049 0.78 ATF4 (0.51) ATF4
SCHEMBL19569431 0.77 ATF4 (0.47) ATF4FFAR1KCNJ6KCNJ5KCNJ3
SCHEMBL20999053 0.76 ALDH1A1 (0.47) LMNAALDH1A1MAPTNPC1TP53
SCHEMBL22669514 0.75 ATF4 (0.41) GRIN1GRIN2BALDH1A1ATF4MEN1
SCHEMBL22669234 0.75 ATF4 (0.42) ALDH1A1ATF4MEN1KMT2ANPC1
SCHEMBL20973933 0.74 ATF4 (0.60) 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-20190144440-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2019-05-16 — — 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-20190144440-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 GRIN1 1690/4885GRIN2B 2324/4885LMNA 3376/4885

“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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