SCHEMBL513464

SCHEMBL513464

COc1c(C)nn(C)c(=O)c1-c1cc(C)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
NPBWR1 P48145 2/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NR1I2 O75469 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NMT1 P30419 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
SCHEMBL20695057 0.86 POLB (0.33) MAPTLMNAKMT2AMEN1POLB
SCHEMBL12906309 0.83 CDK8 (0.42) LMNATP53CDK8ACVR1ALDH1A1
SCHEMBL20695034 0.76 MAOB (0.49) LMNATSHRNPBWR1ALDH1A1SMN1; SMN2
SCHEMBL469902 0.73 CRHR1 (0.34) MAPTLMNATP53POLBCDK8
SCHEMBL513319 0.71 NMT1 (0.36) LMNAKMT2ACDK8ACVR1NPBWR1
SCHEMBL469899 0.71 GSK3B (0.46) KMT2AMEN1TSHRPOLBALDH1A1
SCHEMBL20695068 0.71 L3MBTL1 (0.39) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15935630 0.70 NPC1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15353202 0.70 SIRT2 (0.46) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL469883 0.70 NPC1 (0.35) LMNATSHRPOLBALDH1A1SMN1; SMN2

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 ESRRA 4692/4885MAPT 3453/4885LMNA 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.