SCHEMBL5205772

SCHEMBL5205772

CCOCC=NC(=O)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 7/20 0.43
PARP1 P09874 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL18321825 0.84 ALDH1A1 (0.52) LMNAALDH1A1PARP1MAPTHPGD
SCHEMBL5846634 0.83 LMNA (0.44) LMNAALDH1A1PARP1MAPTHPGD
SCHEMBL459926 0.82 ALDH1A1 (0.40) LMNAALDH1A1MAPTPOLBGAA
SCHEMBL8516079 0.78 CES2 (0.44) ALDH1A1MAPTHPGDKMT2ARAB9A
SCHEMBL6159579 0.75 ALDH1A1 (0.42) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL6159139 0.74 RAB9A (0.48) LMNAALDH1A1MAPTHPGDPOLB
SCHEMBL6161054 0.72 HPGD (0.49) ALDH1A1PARP1HPGDMAOBRAB9A
Ether SCHEMBL27360254 0.72 PARP1 (0.51) LMNAALDH1A1PARP1MAPTHPGD
SCHEMBL5205616 0.71 ELANE (0.45) LMNAALDH1A1PARP1MAPTHPGD
SCHEMBL5205858 0.71 ELANE (0.45) LMNAALDH1A1PARP1MAPTHPGD

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-1458706-B1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2007-07-11 EP disclosed
US-7135572-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-11-14 US disclosed
US-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2006-01-12 US 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-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 LMNA 4806/4885ALDH1A1 110/4885PARP1 589/4885

“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.