SCHEMBL22669484

SCHEMBL22669484

CC1(NC(=O)COc2ccc(Cl)c(Cl)c2)C=C(NC(=O)COCCc2cccc(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HDAC4 P56524 1/20 0.35

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
SCHEMBL22669121 0.93 ATF4 (0.42) HTTMAOB
SCHEMBL22669126 0.92 MAPK1 (0.39) HTTLMNAGAAMAPT
SCHEMBL22669335 0.92 MAOA (0.36) ALDH1A1GAAMAPTGRIN1GRIN2B
SCHEMBL22669514 0.90 ATF4 (0.41) HTTALDH1A1GAAGRIN1GRIN2B
SCHEMBL22668971 0.90 ATM (0.36) ALDH1A1GAAGRIN1GRIN2BADAMTS5
SCHEMBL20999598 0.90 HTT (0.40) HTTALDH1A1LMNAGAAALOX12
SCHEMBL20999053 0.88 ALDH1A1 (0.47) HTTALDH1A1LMNAGAAALOX12
SCHEMBL22669522 0.88 MAPT (0.39) ALDH1A1LMNAGAAALOX12MAPT
SCHEMBL22669230 0.87 HTT (0.39) HTTGAAALOX12ADAMTS5MAOB
SCHEMBL22669139 0.87 HPGD (0.39) ALDH1A1GAAMAPTGRIN1GRIN2B

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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 — — 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 HTT 2496/4885ALDH1A1 3433/4885LMNA 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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