SCHEMBL78628

SCHEMBL78628

CN(C(=O)O)c1ccccc1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.52
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPRC P08575 1/20 0.49
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PTPRG P23470 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 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
SCHEMBL11343622 0.81 KMT2A (0.37) NPY2RKMT2AL3MBTL1POLBMEN1
SCHEMBL78291 0.79 RIPK1 (0.36) NPY2RKMT2AMEN1ALDH1A1NPC1
SCHEMBL80086 0.79 MTNR1A (0.42) NPY2RKMT2AMEN1KDM4ENPC1
SCHEMBL80587 0.78 NPY2R (0.36) NPY2RKMT2AL3MBTL1POLBHTT
SCHEMBL11301510 0.78 PTGS2 (0.51) NPY2RKMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL78113 0.78 TSHR (0.48) NPY2RKMT2AL3MBTL1POLBMEN1
SCHEMBL78353 0.78 ALDH1A1 (0.40) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL11857255 0.78 PPARD (0.48) NPY2RKMT2AL3MBTL1PTPRCHTT
SCHEMBL79386 0.77 CYP1A2 (0.37) NPY2RKMT2APOLBALDH1A1KDM4E
SCHEMBL79839 0.77 KMT2A (0.38) NPY2RKMT2APOLBMEN1NPC1

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 NPY2R 2156/4885KMT2A 309/4885L3MBTL1 643/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT NPY2R 2156/4885KMT2A 309/4885L3MBTL1 643/4885

“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.