Sugi Predict

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SCHEMBL4915282

SCHEMBL4915282

CCCCC1(O)C(=O)N(c2ccccc2)N(c2ccc(OC)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ CYP2C19 P33261 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ GPR55 Q9Y2T6 2/20 0.45
▸ ELANE P08246 2/20 0.45
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP3A4 P08684 3/20 0.41
▸ HSD11B1 P28845 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL5956271 0.89 KDM4E (0.68) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL4908462 0.85 KDM4E (0.59) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL4909796 0.73 CYP3A4 (0.71) KDM4ECYP2C19ALDH1A1LMNACNR1
SCHEMBL5083344 0.72 KDM4E (1.00) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL9751918 0.71 KDM4E (0.63) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL4731087 0.71 KDM4E (0.77) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL7543513 0.70 KDM4E (0.61) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL9457060 0.70 KDM4E (0.61) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL11338190 0.69 KDM4E (0.72) KDM4EPKMCYP2C19ALDH1A1NPSR1
SCHEMBL19378601 0.68 KDM4E (0.58) KDM4EPKMCYP2C19ALDH1A1NPSR1

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
US-20080287390-A1 Pyrazolidinol compounds A-VIRAL AS (NO) 2008-11-20 — — US disclosed
US-20060121449-A1 Method for selection of compounds which inhibit clonal cell growth and use thereof TJOTTA ENOK 2006-06-08 — — US disclosed
EP-1194409-B1 PYRAZOLIDINOL COMPOUNDS VIRAL ASA A (NO) 2006-02-01 — — EP disclosed
US-6852749-B1 Pyrazolidinol compounds A-VIRAL AS (NO) 2005-02-08 — — US disclosed
US-20040152751-A1 Pyrazolidinol compounds TJOTTA ENOK (NO) 2004-08-05 — — US 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 (3 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-20080287390-A1 Pyrazolidinol compounds NOX5, TPMT, ICOS KDM4E 449/4885PKM 586/4885CYP2C19 259/4885
US-20040152751-A1 Pyrazolidinol compounds NOX5, TPMT, ICOS KDM4E 449/4885PKM 586/4885CYP2C19 259/4885
US-20060121449-A1 Method for selection of compounds which inhibit clonal cell growth and use thereof CD14, MKI67, CD69 KDM4E 4556/4885PKM 2620/4885CYP2C19 3726/4885

“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.