SCHEMBL143003

SCHEMBL143003

CCCCCCC(=O)NN=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.65
FAAH O00519 6/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PPARG P37231 5/20 0.48
PPARD Q03181 5/20 0.48
PPARA Q07869 5/20 0.48
HDAC11 Q96DB2 4/20 0.48
TSHR P16473 3/20 0.48
GPR84 Q9NQS5 3/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL28522138 1.00 HSP90AA1 (0.65) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL137475 0.98 HSP90AA1 (0.61) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL135436 0.91
SCHEMBL19383169 0.82 HDAC1 (0.71) HSP90AA1HDAC11
SCHEMBL27699891 0.81 HSP90AA1 (0.57) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL23203038 0.79 HSP90AA1 (1.00) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL5575814 0.79 HSP90AA1 (1.00) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL7945790 0.79 HSP90AA1 (1.00) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL20915286 0.79 HSP90AA1 (1.00) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL20602650 0.79 HSP90AA1 (1.00) HSP90AA1FAAHMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8728442-B2 Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides BAYER CROPSCIENCE LP (US) 2014-05-20 US disclosed
US-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2012-03-08 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 (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-20120058058-A1 COMPOUNDS DERIVED FROM MUSCODOR FUNGI SPOUT1, ERG28, DDT HSP90AA1 602/4885FAAH 1999/4885MEN1 1194/4885

“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.