SCHEMBL6232652

SCHEMBL6232652

CCN(CC)C(=O)c1nc(-c2ccc(OC)nc2)c(-c2ccc(OCCO)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
PPARD Q03181 1/20 0.41
OXTR P30559 5/20 0.39
RCE1 Q9Y256 1/20 0.39
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL6540242 0.92 OXTR (0.40) TAAR1PPARDOXTRRCE1LMNA
SCHEMBL6539837 0.89 HPGD (0.42) PPARDLMNAHPGDKDM4EMEN1
SCHEMBL6539472 0.88 HRH3 (0.38) TAAR1PPARDOXTRRCE1HRH3
SCHEMBL6539662 0.88 PPARD (0.41) TAAR1PPARDOXTRRCE1MEN1
SCHEMBL6539461 0.88 HRH3 (0.38) TAAR1PPARDOXTRRCE1LMNA
SCHEMBL6539033 0.87 MEN1 (0.48) PPARDOXTRLMNAHPGDKDM4E
SCHEMBL6539048 0.87 PPARD (0.40) TAAR1PPARDOXTRRCE1LMNA
SCHEMBL6235990 0.87 PPARD (0.43) TAAR1PPARDRCE1HDAC6MKNK1
SCHEMBL6208169 0.84 PPARD (0.42) TAAR1PPARDOXTRRCE1HDAC6
SCHEMBL6539600 0.82 PPARD (0.41) TAAR1PPARDOXTRRCE1LMNA

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
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 TAAR1 1264/4885PPARD 1747/4885OXTR 1799/4885

“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.