SCHEMBL6132556

SCHEMBL6132556

COc1ccc(-c2nc(O)nn2-c2ccc(OC)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.53
PTGS1 P23219 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
MALT1 Q9UDY8 1/20 0.40
OXTR P30559 2/20 0.40
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL6135189 0.92 PTGS2 (0.53) PTGS2PTGS1L3MBTL1MALT1OXTR
SCHEMBL6681645 0.89 PTGS1 (0.40) PTGS2PTGS1MALT1OXTRAVPR2
SCHEMBL4028727 0.86 PTGS2 (0.69) PTGS2PTGS1L3MBTL1MALT1ALDH1A1
SCHEMBL6687139 0.85 MEN1 (0.48) PTGS2PTGS1L3MBTL1OXTRAVPR2
SCHEMBL6132606 0.82 PTGS2 (0.57) PTGS2PTGS1L3MBTL1OXTRAVPR2
SCHEMBL3358370 0.80 PTGS2 (0.61) PTGS2PTGS1L3MBTL1MALT1KDM4E
SCHEMBL6132303 0.78 PTGS2 (0.81) PTGS2PTGS1L3MBTL1MALT1OXTR
SCHEMBL6680327 0.77 PTGS1 (0.45) PTGS2PTGS1OXTRAVPR2AVPR1A
SCHEMBL3355080 0.76 PTGS2 (0.62) PTGS2PTGS1L3MBTL1
SCHEMBL6686662 0.76 PTGS1 (0.47) PTGS2PTGS1MALT1OXTRAVPR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885PTGS1 1504/4885L3MBTL1 836/4885

“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.