SCHEMBL22627624

SCHEMBL22627624

O=C(COc1ccccccccc1)NC12CC(NC(=O)C3CCCCCCCCC3)(C1)C2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 8/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL19568597 1.00 ATF4 (0.56) ATF4SMN1; SMN2NPC1PKMEPHX2
SCHEMBL23149159 0.85 ATF4 (0.71) ATF4NPC1RAB9ALMNAMEN1
SCHEMBL22627657 0.85 ATF4 (0.56) ATF4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL20609274 0.84 ATF4 (0.76) ATF4
SCHEMBL19577632 0.84 ATF4 (0.54) ATF4SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL22990649 0.84 ATF4 (0.54) ATF4SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL22990531 0.84 ATF4 (0.54) ATF4SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL19577718 0.84 ATF4 (0.54) ATF4SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL20610423 0.81 ATF4 (0.80) ATF4NPC1RAB9A
SCHEMBL23624503 0.81 ATF4 (0.51) ATF4SMN1; SMN2RAB9AALDH1A1LMNA

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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ATF4 1/4885SMN1; SMN2 2486/4885NPC1 1252/4885

“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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