SCHEMBL137475

SCHEMBL137475

CCCCCC(=O)NN=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
FAAH O00519 6/20 0.54
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
AKR1B1 P15121 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL143003 0.98 HSP90AA1 (0.65) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL28522138 0.98 HSP90AA1 (0.65) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL135436 0.93
SCHEMBL138508 0.83
SCHEMBL27917904 0.80 HSP90AA1 (0.54) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL19383169 0.79 HDAC1 (0.71) HSP90AA1KDM4E
SCHEMBL27699891 0.78 HSP90AA1 (0.57) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL742031 0.78
SCHEMBL1563321 0.77 MAPT (0.56) HSP90AA1FAAHALDH1A1MEN1MAPK1
SCHEMBL1562173 0.77 MAPT (0.56) HSP90AA1FAAHALDH1A1MEN1MAPK1

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 1999/4885ALDH1A1 1190/4885

“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.