SCHEMBL5452304

SCHEMBL5452304

CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(O)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 3/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.32
CNR2 P34972 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
DHPS P49366 1/20 0.31

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
SCHEMBL5445142 0.93 EGLN1 (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5450208 0.93 EGLN1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2AKR1B1
SCHEMBL13672777 0.92 AKR1B1 (0.41) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5438443 0.90 GAA (0.42) ALDH1A1KMT2ALMNASMN1; SMN2EGLN1
SCHEMBL5437380 0.89 CENPE (0.38) ALDH1A1SMN1; SMN2
SCHEMBL5446694 0.88 MAOB (0.35) ALDH1A1LMNAAKR1B1
SCHEMBL5446606 0.88 WDR5 (0.36) ALDH1A1MEN1KMT2ALMNAEGLN1
SCHEMBL5446667 0.88 EGLN1 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5444577 0.87 WDR5 (0.40) ALDH1A1LMNA
SCHEMBL5437421 0.87 AKR1B1 (0.36) ALDH1A1L3MBTL1HTTAKR1B1

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 3 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

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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H ALDH1A1 1500/4885MEN1 4754/4885KMT2A 1470/4885

“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.