SCHEMBL79837

SCHEMBL79837

C/C=C/CSc1ccccc1N(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 3/20 0.36
LMNA P02545 2/20 0.36
ICMT O60725 1/20 0.36
GMNN O75496 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CDK2 P24941 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.36
NPY2R P49146 3/20 0.36

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
SCHEMBL79839 1.00 KMT2A (0.38) KMT2AMEN1CYP3A4LMNAICMT
SCHEMBL78113 0.84 TSHR (0.48) KMT2AMEN1CYP3A4LMNAICMT
SCHEMBL80587 0.84 NPY2R (0.36) KMT2AMEN1CYP3A4LMNAICMT
SCHEMBL11343622 0.77 KMT2A (0.37) KMT2AMEN1CYP1A2POLBMAPT
SCHEMBL78628 0.77 NPY2R (0.52) KMT2AMEN1POLBNPY2RNPC1
SCHEMBL80086 0.76 MTNR1A (0.42) KMT2AMEN1NPY2RNPC1RAB9A
SCHEMBL78291 0.76 RIPK1 (0.36) KMT2AMEN1NPY2RNPC1RAB9A
SCHEMBL78353 0.75 ALDH1A1 (0.40) KMT2ACYP1A2POLBHSD17B10NPC1
SCHEMBL11301510 0.75 PTGS2 (0.51) KMT2ACYP3A4LMNACYP1A2MAPT
SCHEMBL79386 0.73 CYP1A2 (0.37) KMT2ACYP1A2POLBHSD17B10NPY2R

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 4 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

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 862/4885CYP3A4 106/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT KMT2A 309/4885MEN1 862/4885CYP3A4 106/4885

“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.