SCHEMBL79642

SCHEMBL79642

CC(C)Sc1ccccc1N(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
TSPO P30536 1/20 0.35
HPGD P15428 1/20 0.35
NPY2R P49146 1/20 0.34
POLB P06746 1/20 0.34
CETP P11597 1/20 0.33
ADRB3 P13945 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 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
SCHEMBL12456943 0.85 CETP (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11403283 0.84 POLB (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11856898 0.83 MTNR1A (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MTNR1A
SCHEMBL11293114 0.83 NPY2R (0.34) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11851714 0.81 KDM4E (0.36) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL11851442 0.79 MTNR1A (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL80086 0.79 MTNR1A (0.42) MEN1KMT2ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL11850998 0.78 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL11851446 0.77 POLB (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11851717 0.77 POLB (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTGAA

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 MEN1 862/4885KMT2A 309/4885SMN1; SMN2 1792/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT MEN1 862/4885KMT2A 309/4885SMN1; SMN2 1792/4885

“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.