SCHEMBL80587

SCHEMBL80587

C=CCSc1ccccc1N(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
ICMT O60725 1/20 0.34
GMNN O75496 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CDK2 P24941 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL78113 0.85 TSHR (0.48) NPY2RL3MBTL1KMT2ACYP3A4ICMT
SCHEMBL79839 0.84 KMT2A (0.38) NPY2RKMT2ACYP3A4ICMTGMNN
SCHEMBL79837 0.84 KMT2A (0.38) NPY2RKMT2ACYP3A4ICMTGMNN
SCHEMBL78353 0.79 ALDH1A1 (0.40) KMT2ACYP1A2POLBHSD17B10ALDH1A1
SCHEMBL78628 0.78 NPY2R (0.52) NPY2RL3MBTL1KMT2APOLBMEN1
SCHEMBL11343622 0.78 KMT2A (0.37) NPY2RL3MBTL1KMT2ACYP1A2POLB
SCHEMBL77536 0.78 CYP1A2 (0.37) NPY2RKMT2ACYP1A2POLBHSD17B10
SCHEMBL79386 0.78 CYP1A2 (0.37) NPY2RKMT2ACYP1A2POLBHSD17B10
SCHEMBL80086 0.77 MTNR1A (0.42) NPY2RKMT2AMEN1NPC1RAB9A
SCHEMBL78291 0.77 RIPK1 (0.36) NPY2RKMT2AMEN1ALDH1A1NPC1

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
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
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 US disclosed
EP-0010580-B1 2-(1-METHYL-PROPYN-2-YL-THIO)-PHENYL-N-METHYLCARBAMATE, PROCESS FOR ITS PREPARATION AND ITS USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1982-09-29 EP disclosed
US-4239775-A 2-(1-Methylpropyn-2-yl-thio)-phenyl-N-methylcarbamate and its use for combating pests of the Acarina order BASF AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
EP-0010580-A1 2-(1-Methyl-propyn-2-yl-thio)-phenyl-N-methylcarbamate, process for its preparation and its use in combating pests BASF Aktiengesellschaft (DE) 1980-05-14 EP 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 NPY2R 2156/4885L3MBTL1 643/4885KMT2A 309/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT NPY2R 2156/4885L3MBTL1 643/4885KMT2A 309/4885

“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.