SCHEMBL513333

SCHEMBL513333

CCc1cc(CC)c(-c2c(O)c(C)nn(C)c2=O)c(CC)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
GFER P55789 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAPK8 P45983 2/20 0.30
MAPK9 P45984 2/20 0.30
MAPT P10636 1/20 0.30
CDK8 P49336 1/20 0.30
ACVR1 Q04771 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL513844 0.87 MAPK8 (0.30) MAPK8CDK8ACVR1
SCHEMBL514106 0.85 KDM4E (0.35) KDM4ECDK8ACVR1
SCHEMBL510530 0.85 MAPK8 (0.36) KDM4EGAAMAPK8MAPK9MAPT
SCHEMBL512973 0.85 CASR (0.33) CDK8ACVR1
SCHEMBL514980 0.85 PDE4A (0.31) CDK8ACVR1
SCHEMBL513484 0.84 HPGD (0.30) HPGDMAPK8
SCHEMBL919414 0.82 KMT2A (0.37) ALDH1A1GAAHPGDMAPK8MAPK9
SCHEMBL513255 0.81 CASR (0.32) HPGDMAPT
SCHEMBL466412 0.81 MAPT (0.36) ALDH1A1GAAHPGDMAPTCDK8
SCHEMBL513374 0.80 NPC1 (0.39) KDM4EALDH1A1GAAHPGDMAPK8

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 2181/4885ALDH1A1 1293/4885GLA 2042/4885

“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.