SCHEMBL6206925

SCHEMBL6206925

COc1ccc(C(Br)C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
VNN1 O95497 1/20 0.47
MAPT P10636 3/20 0.46
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
CNR1 P21554 1/20 0.44
CASP1 P29466 1/20 0.44
CNR2 P34972 1/20 0.44
CASP7 P55210 1/20 0.44
GAA P10253 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ACACB O00763 1/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL6208489 1.00 GSK3B (0.55) GSK3BALDH1A1CYP1A2VNN1MAPT
SCHEMBL3089210 0.88 ALDH1A1 (0.62) GSK3BALDH1A1CYP1A2MAPTPARP10
SCHEMBL9436048 0.88 GSK3B (0.70) GSK3BALDH1A1MAPTPARP15PARP10
SCHEMBL3105019 0.82 ALDH1A1 (0.55) GSK3BALDH1A1CYP1A2MAPTPARP10
SCHEMBL2150940 0.82 ALDH1A1 (0.55) GSK3BALDH1A1CYP1A2MAPTPARP10
SCHEMBL3092612 0.81 HPGD (0.60) ALDH1A1CYP1A2MAPTSMN1; SMN2CNR2
SCHEMBL3092509 0.81 HPGD (0.60) ALDH1A1CYP1A2MAPTSMN1; SMN2CNR2
SCHEMBL3098768 0.81 ALDH1A1 (0.54) GSK3BALDH1A1CYP1A2MAPTPARP10
SCHEMBL6201289 0.80 ALDH1A1 (0.61) ALDH1A1CYP1A2MAPTSMN1; SMN2CYP3A4
SCHEMBL7017619 0.80 ALDH1A1 (0.57) ALDH1A1CYP1A2MAPTSMN1; SMN2CYP3A4

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 GSK3B 3866/4885ALDH1A1 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.