SCHEMBL22628316

SCHEMBL22628316

C=C(CCNC(=O)c1csc(C)n1)NC(=O)COc1ccc(C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ HIF1A Q16665 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL22956381 0.89 ROCK2 (0.44) RXFP1MEN1KMT2AHIF1AHTT
SCHEMBL22628186 0.84 RXFP1 (0.54) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22628437 0.83 HPGD (0.50) RXFP1MEN1KMT2AHPGDHTT
SCHEMBL20999332 0.82 HPGD (0.64) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22627747 0.82 RXFP1 (0.54) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22627631 0.82 MEN1 (0.54) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22628306 0.82 MEN1 (0.48) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22627924 0.81 RXFP1 (0.53) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22628472 0.81 RXFP1 (0.51) RXFP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22627858 0.80 RXFP1 (0.54) RXFP1MEN1KMT2AHPGDHTT

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-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 — — US disclosed
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 (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-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 RXFP1 2368/4885MEN1 4714/4885KMT2A 4320/4885
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 RXFP1 2368/4885MEN1 4714/4885KMT2A 4320/4885

“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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