SCHEMBL22956136

SCHEMBL22956136

C=C(CCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(CO)ccn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ GRIN1 Q05586 4/20 0.43
▸ GRIN2B Q13224 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TAOK1 Q7L7X3 2/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL22627678 0.92 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1RXFP1
SCHEMBL22627744 0.88 ALDH1A1 (0.41) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22627899 0.87 ALDH1A1 (0.45) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22627651 0.86 KMT2A (0.56) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22956194 0.85 ATF4 (0.41) ALDH1A1KMT2AMEN1RXFP1
SCHEMBL22627794 0.85 LOXL2 (0.43) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22956500 0.85 ALDH1A1 (0.41) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22956458 0.85 ALDH1A1 (0.43) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22628187 0.84 RXFP1 (0.57) ALDH1A1GRIN1GRIN2BKMT2AMEN1
SCHEMBL22956244 0.84 GRM4 (0.48) ALDH1A1GRIN1GRIN2BKMT2AMEN1

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-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 — — 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-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 ALDH1A1 3433/4885GRIN1 1690/4885GRIN2B 2324/4885

“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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