SCHEMBL5216893

SCHEMBL5216893

COC(=O)/C(=C\c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
NT5E P21589 1/20 0.49
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.45
SNCA P37840 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK14 Q16539 1/20 0.43
SERPINE1 P05121 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5216896 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ANT5ENPC1MAPT
SCHEMBL14565691 1.00 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ANT5ENPC1MAPT
SCHEMBL27414320 0.85 MAPT (0.47) SMN1; SMN2KMT2ANT5EMAPTRECQL
SCHEMBL14565694 0.81 ALDH1A1 (0.67) SMN1; SMN2KMT2ANT5EMAPTRECQL
SCHEMBL5219694 0.81 ALDH1A1 (0.67) SMN1; SMN2KMT2ANT5EMAPTRECQL
SCHEMBL5219690 0.81 ALDH1A1 (0.67) SMN1; SMN2KMT2ANT5EMAPTRECQL
SCHEMBL5698524 0.77 AKR1C3 (0.49) SMN1; SMN2KMT2ANT5EMAPTAKR1C3
SCHEMBL5698531 0.77 AKR1C3 (0.49) SMN1; SMN2KMT2ANT5EMAPTAKR1C3
SCHEMBL30930817 0.76 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ANPC1MAPTAKR1C3
SCHEMBL9335995 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ANPC1MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542680-B1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES AS TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC (US) 2007-03-07 EP disclosed
US-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US disclosed
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 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 (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-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 SMN1; SMN2 8/4885KMT2A 1775/4885NT5E 4813/4885

“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.