SCHEMBL78647

SCHEMBL78647

CC[Si](C)(C)c1cccc(OC(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
ACHE P22303 5/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.36
PARP1 P09874 1/20 0.36
KIF11 P52732 1/20 0.34
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33

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
SCHEMBL78769 0.83 KMT2A (0.66) KMT2AMEN1ACHECYP3A4LMNA
SCHEMBL5216616 0.74 KMT2A (0.36) KMT2AMEN1MAPTPARP1
SCHEMBL9314358 0.73 KMT2A (0.66) KMT2AMEN1ACHE
SCHEMBL14783795 0.71 MEN1 (0.61) KMT2AMEN1ACHE
SCHEMBL5700033 0.71 KMT2A (0.73) KMT2AMEN1ACHECYP3A4LMNA
SCHEMBL3955745 0.71 MEN1 (0.80) KMT2AMEN1ACHECYP3A4LMNA
SCHEMBL4990119 0.70 KMT2A (0.65) KMT2AMEN1LMNA
SCHEMBL4267736 0.69 MEN1 (0.76) KMT2AMEN1CYP3A4LMNAMAPT
SCHEMBL79324 0.69 ALDH1A1 (0.44) ACHECYP3A4LMNA
SCHEMBL3641396 0.69 MEN1 (0.76) KMT2AMEN1CYP3A4LMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO claimed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 US claimed
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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 (2 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT KMT2A 309/4885MEN1 862/4885ACHE 1/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT KMT2A 309/4885MEN1 862/4885ACHE 1/4885

“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.