SCHEMBL8260488

SCHEMBL8260488

O=C(c1ccc(-c2ccc(C(=O)N3CCNCC3)cc2)cc1)N1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.72
MKNK1 Q9BUB5 1/20 0.69
MKNK2 Q9HBH9 1/20 0.69
HPGD P15428 3/20 0.65
MAPK1 P28482 1/20 0.59
CCNC P24863 5/20 0.58
CDK8 P49336 5/20 0.58
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 1/20 0.55
RIPK1 Q13546 1/20 0.55
TDO2 P48775 1/20 0.55
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC6A7 Q99884 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRA5 P31644 1/20 0.53

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
SCHEMBL8358137 0.94 SIGMAR1 (0.81) SIGMAR1MKNK1MKNK2HPGDL3MBTL1
SCHEMBL5266293 0.93 SIGMAR1 (0.80) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL8934929 0.93 SIGMAR1 (0.64) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL29800584 0.91 SIGMAR1 (0.62) SIGMAR1MKNK1MKNK2HPGDMAPK1
Hydrochloric Acid SCHEMBL4763940 0.91 SIGMAR1 (0.77) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL16574186 0.91 GABRD (0.66) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL7425708 0.90 MKNK1 (0.72) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL3583338 0.88 HPGD (0.73) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL23140495 0.86 SIGMAR1 (0.76) SIGMAR1MKNK1MKNK2HPGDMAPK1
SCHEMBL4505138 0.86 SIGMAR1 (0.70) SIGMAR1MKNK1MKNK2HPGDCCNC

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-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 US disclosed
US-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors ARGENTA DISCOVERY LIMITED (GB) 2009-04-23 US disclosed
WO-2006082412-A2 MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-08-10 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 (2 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-20090105268-A1 Dihydropyrimidone Multimers and Their Use as Human Neutrophil, Elastase Inhibitors SERPINB1, ELANE, MPO SIGMAR1 4501/4885MKNK1 1719/4885MKNK2 1947/4885
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use MRM1, ME2, SDHA SIGMAR1 3625/4885MKNK1 2456/4885MKNK2 2614/4885

“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.