SCHEMBL14200425

SCHEMBL14200425

CN(C)CCN(C)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
KCNH2 Q12809 1/20 0.41
HTR1D P28221 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL21416997 0.81 ALDH1A1 (0.44) KDM4ECYP2C19CYP1A2KCNH2HTR1D
SCHEMBL22181551 0.77 CYP1A2 (0.41) KDM4ECYP2C19CYP1A2KCNH2HTR1D
SCHEMBL24848636 0.77 CYP1A2 (0.41) KDM4ECYP2C19CYP1A2KCNH2HTR1D
SCHEMBL13602329 0.72 HRH4 (0.41) KDM4ECYP1A2KCNH2TDP1LMNA
SCHEMBL1264882 0.72 KCNH2 (0.45) KDM4ECYP2C19CYP1A2KCNH2HTR1D
SCHEMBL15604420 0.72 KCNH2 (0.52) KDM4ECYP2C19CYP1A2KCNH2HTR1D
SCHEMBL24433726 0.72 ALDH1A1 (0.39) KDM4ECYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL24444043 0.71 KDM4E (0.39) KDM4ECYP2C19CYP1A2HTR1DALDH1A1
SCHEMBL1263719 0.70 SLC6A4 (0.44) KDM4ECYP1A2KCNH2ALDH1A1HPGD
SCHEMBL24237294 0.69 ALDH1A1 (0.39) KDM4ECYP2C19CYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
EP-1818340-A1 GLYCOPEPTIDE ANTIBIOTIC MONOMER DERIVATIVES National University Corporation Nagoya University (JP) 2007-08-15 EP 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 KDM4E 4340/4885CYP2C19 2048/4885CYP1A2 847/4885

“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.