SCHEMBL2091759

SCHEMBL2091759

COCCNC1CC[N]C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1489609 1.00 KDM4E (0.33) KDM4EIRAK4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3642961 0.88 KDM4E (0.39) KDM4EIRAK4ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3199228 0.78
SCHEMBL4761390 0.77
SCHEMBL1579432 0.76 CARM1 (0.31)
Hydrochloric Acid SCHEMBL1461782 0.74
SCHEMBL1579038 0.74
SCHEMBL1579155 0.74
SCHEMBL3778248 0.74
SCHEMBL2094018 0.73 PKM (0.34) ALDH1A1

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
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-20160045490-A1 USE OF CHEMOTHERAPEUTIC AGENTS BAYER INNOVATION GMBH (DE) 2016-02-18 US disclosed
US-8975275-B2 Use of chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2015-03-10 US disclosed
US-20140287028-A1 Use of Chemotherapeutic Agents BAYER INNOVATION GMBH (DE) 2014-09-25 US disclosed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20100330165-A1 USE OF CHEMOTHERAPEUTIC AGENTS BAYER INNOVATION GMBH (DE) 2010-12-30 US disclosed
US-20070197501-A1 Use Of Chemotherapeutic Agents BAYER INNOVATION GMBH (DE) 2007-08-23 US disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1244434-B1 USE OF CHEMOTHERAPEUTIC AGENTS SCHULZ & SCHLIMBACH GBR (DE) 2004-03-17 EP disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
US-20030045544-A1 Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives BAYER INNOVATION GMBH (DE) 2003-03-06 US disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 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 (6 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-20100330165-A1 USE OF CHEMOTHERAPEUTIC AGENTS TYMP, TP53, MSH2 KDM4E 4471/4885IRAK4 1362/4885ALDH1A1 725/4885
US-20030045544-A1 Bactericides for the oral region of animals using 3-carboxy-4-oxo quinoline or 1,8-naphthyridine derivatives or 1-cyclopropyl-3-carboyx-4-oxo quinolizine derivatives NQO2, BROX, CYP4X1 KDM4E 1901/4885IRAK4 1440/4885ALDH1A1 1931/4885
US-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 KDM4E 4269/4885IRAK4 3054/4885ALDH1A1 292/4885
US-20070197501-A1 Use Of Chemotherapeutic Agents TYMP, TP53, MSH2 KDM4E 4471/4885IRAK4 1362/4885ALDH1A1 725/4885
US-20140287028-A1 Use of Chemotherapeutic Agents TYMP, TP53, MSH2 KDM4E 4471/4885IRAK4 1362/4885ALDH1A1 725/4885
US-20160045490-A1 USE OF CHEMOTHERAPEUTIC AGENTS TYMP, TP53, MSH2 KDM4E 4471/4885IRAK4 1362/4885ALDH1A1 725/4885

“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.