SCHEMBL15811642

SCHEMBL15811642

CNc1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.65
FAAH O00519 6/20 0.65
HSP90AA1 P07900 3/20 0.60
TDP1 Q9NUW8 2/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
DDAH1 O94760 1/20 0.48
BCHE P06276 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CCR6 P51684 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL12321793 0.82 HSP90AA1 (0.84) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL95324 0.81 MGLL (1.00) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL7772704 0.78 MGLL (0.65) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL25584213 0.78 MGLL (0.58) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL8467244 0.78 MGLL (0.77) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL17231642 0.78 MGLL (0.58) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL9720879 0.77 MGLL (0.62) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL8505932 0.76 SCN2A (0.63) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL28578280 0.75 MGLL (0.60) MGLLFAAHHSP90AA1TDP1PKM
SCHEMBL571682 0.75 HSP90AA1 (1.00) MGLLFAAHHSP90AA1TDP1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928503-B1 CONJUGATES OF AURISTATIN COMPOUNDS MERSANA THERAPEUTICS INC (US) 2019-02-20 EP disclosed
US-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2015-11-05 US disclosed
WO-2014093379-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2014-06-19 WO disclosed
CN-101508844-B Resin composition, prepreg and their uses MITSUBISHI GAS CHEMICAL CO 2013-05-01 CN disclosed
CN-101508844-A Resin composition, prepreg and their uses MITSUBISHI GAS CHEMICAL CO (JP) 2009-08-19 CN 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 (1 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-20150314008-A1 AURISTATIN COMPOUNDS AND CONJUGATES THEREOF PBRM1, BRWD1, BRDT MGLL 4358/4885FAAH 3977/4885HSP90AA1 2711/4885

“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.