SCHEMBL6858031

SCHEMBL6858031

CCOC(=O)CC(=O)c1nn(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ELANE P08246 9/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
LMNA P02545 2/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL6705737 0.83 ELANE (0.70) KDM4EELANEF2PLAU
SCHEMBL19902668 0.81 KDM4E (0.57) KDM4EELANEHTR3EHTR3BHTR3A
SCHEMBL5324515 0.81 KDM4E (0.55) KDM4EELANESMN1; SMN2F2PLAU
SCHEMBL19902669 0.80 KDM4E (0.56) KDM4EELANEF2PLAUHTR3E
SCHEMBL18313403 0.78 KDM4E (0.57) KDM4EELANEHTR3EHTR3BHTR3A
SCHEMBL5323230 0.78 SMN1; SMN2 (0.73) KDM4EELANESMN1; SMN2F2PLAU
SCHEMBL31302274 0.75 KDM4E (0.66) KDM4EELANESMN1; SMN2F2PLAU
SCHEMBL1563104 0.75 KDM4E (0.66) KDM4EELANESMN1; SMN2F2PLAU
SCHEMBL27162999 0.74 L3MBTL1 (0.44) SMN1; SMN2LMNAALDH1A1CYP3A4TSHR
Fumaric Acid SCHEMBL9775801 0.74 KDM4E (0.54) KDM4EELANEHTR3EHTR3BHTR3A

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-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 US disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 US disclosed
CN-1387528-A Heterocyclic substd, pyrazolones CEPHALON INC (US) 2002-12-25 CN disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 US disclosed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 EP disclosed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK KDM4E 3105/4885ELANE 2185/4885SMN1; SMN2 2889/4885

“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.