SCHEMBL80101

SCHEMBL80101

CC(C)(C)c1cccc(OC(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
ACHE P22303 3/20 0.45
CYP3A4 P08684 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
TRPA1 O75762 1/20 0.43
SOD1 P00441 1/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KIF11 P52732 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14439401 0.84 CYP3A4 (0.50) MEN1KMT2AACHECYP3A4HDAC4
SCHEMBL338192 0.84 CYP3A4 (0.65) MEN1KMT2AACHECYP3A4HDAC4
SCHEMBL4664283 0.82 KMT2A (0.56) MEN1KMT2ACYP3A4PRSS1ACR
SCHEMBL29920925 0.82 MEN1 (0.66) MEN1KMT2APRSS1ACRKIF11
SCHEMBL18697297 0.82 ACHE (0.49) MEN1KMT2AACHECYP3A4HDAC4
SCHEMBL27823092 0.82 MEN1 (0.66) MEN1KMT2APRSS1ACRKIF11
SCHEMBL5838099 0.82 TRPV1 (0.47) MEN1KMT2AACHECYP3A4HDAC4
Carbamic Acid SCHEMBL79072 0.81 TRPV1 (0.47) MEN1KMT2AACHETRPV1TRPA1
SCHEMBL11464971 0.81 MEN1 (0.47) MEN1KMT2APRSS1ACRRXRA
SCHEMBL10389716 0.81 CYP3A4 (0.47) MEN1KMT2AACHECYP3A4HDAC4

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 10 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
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
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
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 CN disclosed
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN 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 MEN1 862/4885KMT2A 309/4885ACHE 1/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT MEN1 862/4885KMT2A 309/4885ACHE 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.