SCHEMBL6207566

SCHEMBL6207566

COc1ccc(C(Br)C(=O)c2ccc(OC)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.51
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
VNN1 O95497 4/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
OXTR P30559 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 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
SCHEMBL6209373 0.92 ALDH1A1 (0.49) NNMTALDH1A1CYP1A2VNN1MKNK1
SCHEMBL6207361 0.84 NNMT (0.53) NNMTALDH1A1CYP1A2VNN1MKNK1
SCHEMBL6208425 0.84 MEN1 (0.56) MEN1RAB9AKMT2A
SCHEMBL3089210 0.83 ALDH1A1 (0.62) ALDH1A1CYP1A2RXFP1LMNAMAPT
Hydrochloric Acid SCHEMBL6206952 0.82 NNMT (0.54) NNMTALDH1A1CYP1A2VNN1MKNK1
SCHEMBL6539822 0.80 NNMT (0.48) NNMTALDH1A1VNN1MKNK1MKNK2
SCHEMBL18397475 0.79 NNMT (0.60) NNMTALDH1A1MKNK1MKNK2LMNA
SCHEMBL2150940 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2RXFP1LMNAMAPT
SCHEMBL3105019 0.78 ALDH1A1 (0.55) ALDH1A1CYP1A2RXFP1LMNAMAPT
SCHEMBL6206366 0.77 MEN1 (0.56) MEN1RAB9AKMT2A

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 NNMT 2832/4885ALDH1A1 163/4885CYP1A2 33/4885

“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.