SCHEMBL6234081

SCHEMBL6234081

COc1ccc(-c2nc(C(F)F)oc2-c2ccc(OCCN)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
ATR Q13535 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
RCE1 Q9Y256 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2B P29275 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HDAC1 Q13547 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL6538917 0.90 PPARD (0.42) PPARDLOXL2TAAR1RCE1HDAC6
SCHEMBL6539388 0.90 PPARD (0.38) PPARDLOXL2ATRTAAR1RCE1
SCHEMBL6539783 0.88 ALDH1A1 (0.39) PPARDHDAC6MEN1KMT2A
SCHEMBL6539836 0.88 RCE1 (0.43) PPARDATRTAAR1RCE1HDAC6
Hydrochloric Acid SCHEMBL6539698 0.87 KMT2A (0.39) PPARDHDAC6MEN1KMT2A
Hydrochloric Acid SCHEMBL6207772 0.87 KMT2A (0.39) PPARDHDAC6MEN1KMT2A
SCHEMBL6539135 0.85 PPARD (0.39) PPARDATRTAAR1RCE1HDAC6
SCHEMBL6234392 0.85 PPARD (0.41) PPARDTAAR1RCE1HDAC6PIK3CA
SCHEMBL6539090 0.83 ALDH1A1 (0.38) PPARDRCE1HDAC6MEN1KMT2A
SCHEMBL6539132 0.83 MEN1 (0.45) PPARDATRMEN1KMT2APPARG

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 PPARD 1747/4885LOXL2 138/4885ATR 4740/4885

“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.