SCHEMBL5904151

SCHEMBL5904151

COc1ccc(-c2cc(Cl)cnc2OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
NOD2 Q9HC29 1/20 0.51
TLR8 Q9NR97 1/20 0.51
CNR1 P21554 5/20 0.50
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
SLC6A4 P31645 1/20 0.47
C5AR1 P21730 1/20 0.46
GSTP1 P09211 1/20 0.46
CNR2 P34972 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL5772476 0.84 SLC6A4 (0.46) TLR8CNR1SLC6A4C5AR1GSTP1
SCHEMBL6069616 0.81 PTGS2 (0.55)
SCHEMBL16879470 0.76 GSTP1 (0.55) NPSR1MAPTGSTP1MAOB
SCHEMBL16879689 0.76 GSTP1 (0.55) NPSR1LMNAMAPTMAPK1CNR1
SCHEMBL31381827 0.76 CNR2 (0.46) ALDH1A1LMNAMAPTMAPK1CNR1
SCHEMBL6069619 0.75 PTGER1 (0.48) SLC6A4
SCHEMBL5109364 0.75 SLC6A4 (0.50) NPSR1CNR1SLC6A4MAOB
SCHEMBL16879636 0.73 MAOB (0.51) ALDH1A1LMNAHTTMAPTMAPK1
SCHEMBL28871638 0.73 SQOR (0.62) NPSR1ALDH1A1LMNAHTTMAPT
SCHEMBL5904170 0.73 PTGS2 (0.52) NPSR1

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-20060128757-A1 Pyridine derivatives useful as cyclooxygenase inhibitor ASTELLAS PHARMA INC. (JP) 2006-06-15 US disclosed
EP-1355885-A1 PYRIDINE DERIVATIVES USEFUL AS CYCLOOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
US-20030119877-A1 Pyridine derivatives useful as cyclooxygenase inhibitor ASTELLAS PHARMA INC. (JP) 2003-06-26 US disclosed
WO-2002055502-A1 PYRIDINE DERIVATIVES USEFUL AS CYCLOOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 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 (2 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-20030119877-A1 Pyridine derivatives useful as cyclooxygenase inhibitor PTGS1, PTGIS, PTGER1 NPSR1 1498/4885ALDH1A1 177/4885LMNA 4281/4885
US-20060128757-A1 Pyridine derivatives useful as cyclooxygenase inhibitor PTGS1, PTGIS, PTGS2 NPSR1 479/4885ALDH1A1 314/4885LMNA 4302/4885

“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.