SCHEMBL5215380

SCHEMBL5215380

O=C(O)C(=O)C(=Cc1ccncc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
AGTR1 P30556 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRD5A2 P31213 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL5215374 1.00 KMT2A (0.51) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL5221257 0.81 ALDH1A1 (0.46) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL5221254 0.81 ALDH1A1 (0.46) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL14565694 0.74 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL5219694 0.74 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL5219690 0.74 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL4035546 0.70 MEN1 (0.60) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL11639337 0.70 SRD5A2 (0.67) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL6934618 0.68 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBCYP1A2
SCHEMBL6934616 0.68 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBCYP1A2

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 KMT2A 1775/4885MEN1 314/4885TSHR 2617/4885

“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.