SCHEMBL9978660

SCHEMBL9978660

NC(=O)c1nnc(C(N)=O)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
PDPK1 O15530 1/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OR51E2 Q9H255 1/20 0.36
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NNMT P40261 1/20 0.32
POLB P06746 3/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1088195 0.77 MAPK1 (0.48) MAPK1PDPK1LMNATDP1ALDH1A1
SCHEMBL13528391 0.74 PDPK1 (0.46) MAPK1PDPK1KDM4EHTTMEN1
SCHEMBL2539590 0.67 LMNA (0.46) MAPK1PDPK1LMNAKDM4EHTT
Hydrochloric Acid SCHEMBL25337662 0.65 P2RX7 (0.52) LMNATDP1ALDH1A1KDM4EPOLB
SCHEMBL3208731 0.64 TSHR (0.33) TDP1ALDH1A1KDM4ETSHRALOX15
Urea SCHEMBL29366810 0.63
SCHEMBL8951079 0.61 PDPK1 (0.48) MAPK1PDPK1LMNATDP1ALDH1A1
SCHEMBL2194475 0.61 POLB (0.50) MAPK1LMNATDP1ALDH1A1OR51E2
Urea SCHEMBL30173431 0.59
Urea SCHEMBL30239273 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP claimed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 WO claimed
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP disclosed
EP-2575443-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF Bayer Cropscience LP (US) 2013-04-10 EP disclosed
US-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-12-01 US disclosed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 WO disclosed
WO-2011149899-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF BAYER CROPSCIENCE LP (US) 2011-12-01 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-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF L3MBTL3, ATG13, ARRB1 MAPK1 2468/4885PDPK1 4038/4885LMNA 4118/4885

“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.