SCHEMBL20999236

SCHEMBL20999236

CC1(NC(=O)COc2ccc(Cl)c(F)c2)C=C(NC(=O)COc2ccc(Cl)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 13/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL20999258 0.90 ATF4 (0.44) ATF4MAPT
SCHEMBL20999315 0.89 ATF4 (0.45) ATF4SMN1; SMN2
SCHEMBL20999064 0.89 ATF4 (0.47) ATF4KMT2A
SCHEMBL20999613 0.89 ATF4 (0.44) ATF4TDP1TSHRMAPTMAPK1
SCHEMBL20999049 0.87 ATF4 (0.51) ATF4
SCHEMBL20999638 0.86 ATF4 (0.48) ATF4
SCHEMBL19569520 0.86 ATF4 (0.52) ATF4TDP1RAB9ANPC1TSHR
SCHEMBL20999643 0.85 ATF4 (0.48) ATF4
SCHEMBL22669127 0.85 ATF4 (0.48) ATF4MAPTTP53
SCHEMBL22669375 0.85 POLB (0.51) ATF4TDP1TSHRMAPTMAPK1

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 2 patents. 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
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 (2 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 1/4885TDP1 2489/4885RAB9A 2904/4885
US-20190144440-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885TDP1 2489/4885RAB9A 2904/4885

“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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