SCHEMBL5446606

SCHEMBL5446606

Cc1ccc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
EZH2 Q15910 5/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.33
CCR3 P51677 3/20 0.33
CENPE Q02224 1/20 0.33

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
SCHEMBL5444577 0.94 WDR5 (0.40) WDR5EZH2ALDH1A1LMNAMAPT
SCHEMBL5437380 0.93 CENPE (0.38) ALDH1A1CCR3CENPE
SCHEMBL5446667 0.92 EGLN1 (0.37) WDR5EGLN1EZH2ALDH1A1LMNA
SCHEMBL31060990 0.91 AKR1B1 (0.36) WDR5CENPE
SCHEMBL4479511 0.91 AKR1B1 (0.36) WDR5CENPE
SCHEMBL4488414 0.90 AKR1B1 (0.35) WDR5CENPE
SCHEMBL5438067 0.90 EGLN1 (0.36) WDR5EGLN1
SCHEMBL5450208 0.89 EGLN1 (0.37) EGLN1ALDH1A1MEN1KMT2A
SCHEMBL5445142 0.89 EGLN1 (0.39) EGLN1ALDH1A1LMNAMAPTMEN1
SCHEMBL5440602 0.89 MAOB (0.41) EZH2MAPTMEN1KMT2ACCR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7294623-B2 Benzyl morpholine derivatives ELI LILLY AND COMPANY (US) 2007-11-13 US disclosed
US-20060052377-A1 Benzyl morpholine derivatives ELI LILLY AND COMPANY 2006-03-09 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 (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-20060052377-A1 Benzyl morpholine derivatives AR, HRH1, HRH4 WDR5 3144/4885EGLN1 803/4885EZH2 3073/4885
US-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H WDR5 1380/4885EGLN1 1645/4885EZH2 2885/4885

“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.