SCHEMBL2839557

SCHEMBL2839557

CCC(=O)c1ccc(O)c2ncccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.67
▸ L3MBTL1 Q9Y468 6/20 0.67
▸ KDM4A O75164 3/20 0.67
▸ KDM4C Q9H3R0 2/20 0.67
▸ EGLN1 Q9GZT9 2/20 0.67
▸ KDM6B O15054 1/20 0.67
▸ KDM6A O15550 1/20 0.67
▸ TET3 O43151 1/20 0.67
▸ KDM4B O94953 1/20 0.67
▸ KDM5C P41229 1/20 0.67
▸ KDM4D Q6B0I6 1/20 0.67
▸ TET2 Q6N021 1/20 0.67
▸ ALKBH5 Q6P6C2 1/20 0.67
▸ TET1 Q8NFU7 1/20 0.67
▸ FTO Q9C0B1 1/20 0.67
▸ KDM2A Q9Y2K7 1/20 0.67
▸ KDM3A Q9Y4C1 1/20 0.67
▸ COMT P21964 2/20 0.59
▸ HTT P42858 2/20 0.54
▸ SLC6A2 P23975 1/20 0.54

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
SCHEMBL10157045 0.84 KDM4E (0.67) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL7956981 0.84 KDM4E (0.66) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL7969726 0.83 KDM4E (0.65) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL29462403 0.82 KDM4E (0.73) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL163474 0.82 KDM4E (0.73) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL15170803 0.82 KDM4E (0.63) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL27468637 0.82 KDM4E (0.77) KDM4EL3MBTL1KDM4AKDM4CEGLN1
Hydrochloric Acid SCHEMBL3310696 0.81 KDM4E (0.71) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL2849950 0.81 PDE4A (0.60) KDM4EKDM4AKDM4CGAAMEN1
SCHEMBL10721794 0.81 KDM4E (0.73) KDM4EL3MBTL1KDM4AKDM4CEGLN1

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
CN-108348894-A Ozonolysis for compound activation and ozonolysis 空气交叉股份有限公司 2018-07-31 — — CN disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 — — US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 — — US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 — — EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 — — EP 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A KDM4E 1383/4885L3MBTL1 4431/4885KDM4A 768/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A KDM4E 811/4885L3MBTL1 4430/4885KDM4A 508/4885

“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.

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