SCHEMBL21116604

SCHEMBL21116604

O=C(NCc1ccc(C(F)(F)F)cc1)C12CC(NC(O)COc3ccc(Cl)c(F)c3)(C1)C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CHRNA7 P36544 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL24324518 0.88 ATF4 (0.40) ATF4
SCHEMBL21116645 0.85 ATF4 (0.40) ATF4
SCHEMBL22661756 0.84 ATF4 (0.37) ATF4CACNA1GKCNH2MEN1KMT2A
SCHEMBL19577419 0.84 ATF4 (0.57) ATF4
SCHEMBL24116573 0.83 ATF4 (0.38) ATF4CYP2D6
SCHEMBL22669175 0.81 KCNH2 (0.41) ATF4CACNA1GKCNH2MEN1KMT2A
SCHEMBL21116637 0.81 ATF4 (0.38) ATF4
SCHEMBL25957659 0.79 ATF4 (0.37) ATF4
SCHEMBL21116600 0.79 ATF4 (0.38) ATF4KCNH2
SCHEMBL25965549 0.79 ATF4 (0.37) ATF4CACNA1G

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-10836725-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2020-11-17 — — US disclosed
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2019-06-27 — — 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-10836725-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ATF4 1/4885CACNA1G 4867/4885KCNH2 4816/4885
US-20190194135-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885CACNA1G 4867/4885KCNH2 4816/4885

“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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