SCHEMBL513860

SCHEMBL513860

Cc1ccc(Br)cc1-c1c(O)c(C)nn(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
CASP3 P42574 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NMT1 P30419 1/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
POLB P06746 3/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ESRRA P11474 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL15935620 0.80 ESR2 (0.42) CDK8ACVR1MEN1KMT2AESR1
SCHEMBL11965000 0.80 CDK8 (0.44) KDM4EHPGDCDK8ACVR1ALDH1A1
SCHEMBL512528 0.79 LMNA (0.37) KDM4EHPGDTSHRCDK8ACVR1
SCHEMBL24252130 0.74 L3MBTL1 (0.35) MAPK8L3MBTL1TSHRNMT1CDK8
SCHEMBL15935619 0.74 ANPEP (0.38) CDK8ACVR1ESR1ESR2CREBBP
SCHEMBL469635 0.73 KDM4E (0.39) KDM4EHPGDCDK8ACVR1POLB
SCHEMBL1517630 0.72 NR2F2 (0.35) MAPK8L3MBTL1NMT1CDK8ACVR1
SCHEMBL3789703 0.72 MAPK8 (0.38) MAPK8HPGDCDK8ACVR1MEN1
SCHEMBL2487475 0.71 NMT1 (0.39) MAPK8L3MBTL1KDM4ENMT1CDK8
SCHEMBL18131570 0.71 MAPT (0.41) HPGDCDK8ACVR1POLBBCL2

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 MAPK8 1680/4885CASP3 151/4885L3MBTL1 191/4885

“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.