SCHEMBL3408048

SCHEMBL3408048

O=C(O)c1cc(Cl)c(O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ASPH Q12797 3/20 0.46
KDM8 Q8N371 2/20 0.46
KMO O15229 9/20 0.44
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39
MAPT P10636 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
TET2 Q6N021 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
KDM7A Q6ZMT4 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
SCHEMBL31220772 0.83 KDM4E (0.46) KDM4EASPHKDM8KMOP4HA1
SCHEMBL3408592 0.83 KMO (0.52) KDM4EASPHKDM8KMOP4HA1
SCHEMBL29712296 0.83 KMO (0.52) KDM4EASPHKDM8KMOP4HA1
SCHEMBL5263152 0.80 KDM4E (0.50) KDM4EASPHKDM8KMOP4HA1
SCHEMBL3240453 0.79 ASPH (0.55) KDM4EASPHKDM8KMOP4HA1
Water SCHEMBL9013414 0.78 KDM4E (0.48) KDM4EASPHKDM8KMOP4HA1
SCHEMBL935259 0.78 KMO (0.51) KDM4EASPHKDM8KMOP4HA1
SCHEMBL2262851 0.78 KDM4E (0.47) KDM4EASPHKDM8KMOP4HA1
SCHEMBL21873493 0.77 LCK (0.53) KDM4EALDH1A1MAPT
SCHEMBL9318569 0.77 KDM4E (0.62) KDM4EASPHKDM8P4HA1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
CN-102015695-A Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD 2011-04-13 CN disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 KDM4E 965/4885ASPH 4062/4885KDM8 1240/4885

“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.