SCHEMBL4079339

SCHEMBL4079339

NCC(O)C1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
KDM4E B2RXH2 2/20 0.95
GMNN O75496 1/20 0.95
LMNA P02545 1/20 0.95
MAPT P10636 1/20 0.95
BLM P54132 1/20 0.95
PMP22 Q01453 1/20 0.95
SMN1; SMN2 Q16637 1/20 0.95
EPHX1 P07099 2/20 0.56
ALDH1A1 P00352 1/20 0.47
SHBG P04278 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 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
SCHEMBL133228 1.00 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT
SCHEMBL4078170 1.00 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT
SCHEMBL23270700 1.00 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5228082 1.00 TP53 (1.00) TP53KDM4EGMNNLMNAMAPT
Hydrochloric Acid SCHEMBL160732 0.97 KDM4E (1.00) TP53KDM4EGMNNLMNAMAPT
Hydrochloric Acid SCHEMBL2063394 0.97 KDM4E (1.00) TP53KDM4EGMNNLMNAMAPT
SCHEMBL3647508 0.97
SCHEMBL22535894 0.97
Hydrochloric Acid SCHEMBL19642704 0.95 KDM4E (0.95) TP53KDM4EGMNNLMNAMAPT
Hydrochloric Acid SCHEMBL30187467 0.95 KDM4E (0.95) TP53KDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
EP-1204869-B1 METHOD FOR ANALYZING A NUMBER OF SAMPLES FROM A VARIETY OF SOURCES FOR A SINGLE ANALYTE LUMINEX CORP (US) 2008-10-22 EP disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
US-7141431-B2 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION (US) 2006-11-28 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
WO-2006014484-A2 METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS SURMODICS, INC. (US) 2006-02-09 WO disclosed
US-20050277197-A1 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION 2005-12-15 US disclosed
US-6916661-B2 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION (US) 2005-07-12 US disclosed
US-20040087032-A1 Microparticles with multiple fluorescent signals and methods of using same CHANDLER MARK B (US) 2004-05-06 US disclosed
US-6649414-B1 Microparticles with multiple fluorescent signals and methods of using same LUMINEX CORPORATION 2003-11-18 US disclosed
EP-1049807-B1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS LUMINEX CORP (US) 2003-05-07 EP disclosed
EP-1204869-A1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS AND METHODS OF USING SAME Luminex Corporation (US) 2002-05-15 EP disclosed
EP-1049807-A4 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS LUMINEX CORP (US) 2001-08-29 EP disclosed
US-6268222-B1 Microparticles attached to nanoparticles labeled with flourescent dye LUMINEX CORPORATION 2001-07-31 US disclosed
WO-2001013120-A1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS AND METHODS OF USING SAME LUMINEX CORPORATION (US) 2001-02-22 WO disclosed
EP-1049807-A1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS Luminex Corporation (US) 2000-11-08 EP disclosed
WO-1999037814-A9 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS LUMINEX CORP (US) 1999-10-14 WO disclosed
WO-1999037814-A1 MICROPARTICLES WITH MULTIPLE FLUORESCENT SIGNALS LUMINEX CORPORATION (US) 1999-07-29 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 TP53 1572/4885KDM4E 4479/4885GMNN 3294/4885

“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.