SCHEMBL513376

SCHEMBL513376

Cc1nn(C)c(=O)cc1OC(=O)Oc1cc(=O)n(C)nc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
BRD4 O60885 4/20 0.35
POLB P06746 1/20 0.35
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
HTR3A P46098 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTR2C P28335 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
PTGS1 P23219 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
SCHEMBL513276 0.90 TNF (0.40) BRD4POLBLMNABAZ2B
SCHEMBL18797088 0.79 BRD4 (0.47) BRD4
SCHEMBL391398 0.71 ADORA2A (0.39) BRD4POLBPIM3PIM2ADORA2A
Bicarbonate SCHEMBL513377 0.70 ALDH1A1 (0.41) KDM4EBRD4POLBPIM3PIM2
SCHEMBL20157289 0.70 MAPT (0.41) KDM4EBRD4ADORA2AADORA2BHTR3A
SCHEMBL394010 0.67 MAPT (0.40) BRD4ADORA2AADORA2BMAPTLMNA
SCHEMBL7792558 0.67 BRD4 (0.43) BRD4POLBMAPTLMNA
SCHEMBL7789445 0.67 BRD4 (0.46) BRD4POLBMAPTTP53
SCHEMBL7784129 0.66 CYP1A2 (0.47) KDM4EBRD4MAPT
SCHEMBL21093429 0.64 LMNA (0.44) KDM4EPOLBADORA2AADORA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR KDM4E 2181/4885BRD4 3219/4885POLB 2021/4885

“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.