SCHEMBL5205616

SCHEMBL5205616

CCOC(C)=NC(=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PARP1 P09874 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 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
SCHEMBL5205858 1.00 ELANE (0.45) ELANETRPV1MAOAMAOBSMN1; SMN2
SCHEMBL5202964 0.84 NPC1 (0.50) ELANEMAOBSMN1; SMN2PARP1LMNA
SCHEMBL18327182 0.84 NPC1 (0.50) ELANEMAOBSMN1; SMN2PARP1LMNA
SCHEMBL5204611 0.84 NPC1 (0.50) ELANEMAOBSMN1; SMN2PARP1LMNA
SCHEMBL5206016 0.82 LMNA (0.52) ELANEMAOBSMN1; SMN2PARP1KMT2A
SCHEMBL5206138 0.82 LMNA (0.52) ELANEMAOBSMN1; SMN2PARP1KMT2A
SCHEMBL5204972 0.81 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2KMT2AMEN1
SCHEMBL5201729 0.81 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2KMT2AMEN1
SCHEMBL5203413 0.81 NPC1 (0.53) ELANESMN1; SMN2PARP1KMT2AMEN1
SCHEMBL5203419 0.81 NPC1 (0.53) ELANESMN1; SMN2PARP1KMT2AMEN1

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 8 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-7169929-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2007-01-30 US 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
EP-1458706-A4 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2005-06-08 EP disclosed
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2005-04-07 US disclosed
EP-1458706-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ Corp. (KR) 2004-09-22 EP disclosed
WO-2003055875-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP. (KR) 2003-07-10 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-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 ELANE 2525/4885TRPV1 551/4885MAOA 379/4885
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 ELANE 2701/4885TRPV1 301/4885MAOA 304/4885

“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.