SCHEMBL5221254

SCHEMBL5221254

CCOC(=O)C(=O)/C(=C\c1ccncc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
AGTR1 P30556 2/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 6/20 0.42
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MITF O75030 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL5221257 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EAGTR1MEN1KMT2A
SCHEMBL5215380 0.81 KMT2A (0.51) ALDH1A1KDM4EAGTR1MEN1KMT2A
SCHEMBL5215374 0.81 KMT2A (0.51) ALDH1A1KDM4EAGTR1MEN1KMT2A
SCHEMBL27414320 0.79 MAPT (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11580571 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EAGTR1KMT2AMAPT
SCHEMBL11583511 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EAGTR1KMT2AMAPT
SCHEMBL1695615 0.75 CA12 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6934835 0.74 MEN1 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6934839 0.74 MEN1 (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11308988 0.72 MEN1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT

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 ALDH1A1 2222/4885KDM4E 4091/4885AGTR1 267/4885

“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.