SCHEMBL1373580

SCHEMBL1373580

O=C1CCCC(O)=C1C(=O)c1cc2cccnc2n(-c2ccc3c(c2)OCCO3)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B2 P19099 2/20 0.41
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TSHR P16473 1/20 0.35
PDE4B Q07343 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL1376099 0.84 MET (0.43) ALDH1A1KDM4EMAPTMEN1HPGD
SCHEMBL1373736 0.82 RAB9A (0.43) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL1375986 0.79 MAPT (0.36) MAPTPDE4B
SCHEMBL1375781 0.78 ALDH1A1 (0.40) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL1372625 0.78 AHR (0.50)
SCHEMBL1375691 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1GAA
SCHEMBL1375442 0.76 ALDH1A1 (0.48) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL2781944 0.76 CYP11B2 (0.41) RAB9AALDH1A1KDM4EMAPTMEN1
SCHEMBL1372691 0.73 CNR2 (0.59) KDM4EMEN1KMT2APDE4B
SCHEMBL1372393 0.72 CNR2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 EP disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 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 (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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 RAB9A 3900/4885ALDH1A1 623/4885KDM4E 2575/4885

“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.