SCHEMBL513319

SCHEMBL513319

COc1c(C)nn(C)c(=O)c1-c1c(C)cc(C)c(Cl)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ NPBWR1 P48145 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ CRHR1 P34998 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
SCHEMBL513273 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL469902 0.72 CRHR1 (0.34) NMT1LMNACDK8ACVR1CRHR1
SCHEMBL513464 0.71 ESRRA (0.36) NMT1ALDH1A1LMNACDK8ACVR1
SCHEMBL14844458 0.71 KDM4E (0.39) ALDH1A1LMNAHPGDCDK8ACVR1
SCHEMBL12906309 0.70 CDK8 (0.42) ALDH1A1LMNACDK8ACVR1
SCHEMBL20695057 0.69 POLB (0.33) NMT1ALDH1A1LMNACDK8ACVR1
SCHEMBL22499974 0.69 MAPK8 (0.39) MAPK8MAPK9MAPK10KMT2A
SCHEMBL1679935 0.69 CSF1R (0.35) ALDH1A1CDK8ACVR1KMT2A
SCHEMBL919279 0.67 MAPT (0.33) HPGDKMT2A
SCHEMBL1517467 0.67 HTR2A (0.34) ALDH1A1LMNAKMT2A

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 NMT1 2490/4885ALDH1A1 1293/4885LMNA 1748/4885

“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.

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