SCHEMBL102987

SCHEMBL102987

CC(=O)N(N=O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ADH1A P07327 4/20 0.35
ADH1C P00326 3/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
TDP2 O95551 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 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
SCHEMBL14791027 0.98 LMNA (0.37) LMNAADH1AADH1CALDH1A1KDM4E
SCHEMBL102998 0.89
SCHEMBL1238560 0.78 ALOX5 (0.39) ADH1AADH1CALDH1A1PAX8ADRA2A
SCHEMBL39462 0.78 ADRA2A (0.40) ADH1AADH1CALDH1A1KDM4ENPC1
SCHEMBL103331 0.78 RAB9A (0.33) ADH1AADH1CALDH1A1RAB9AADRA2A
SCHEMBL14776360 0.76 ADH1C (0.35) LMNAADH1AADH1CALDH1A1KDM4E
SCHEMBL9918702 0.76 ALOX5 (0.38) ADH1AADH1CADRA2APDE4AADRA1A
SCHEMBL12506208 0.74 ADRA2A (0.56) ALDH1A1KDM4ENPC1MAPTPKM
Water SCHEMBL27452754 0.74 LMNA (0.33) LMNAALDH1A1
SCHEMBL6467646 0.74 EPHX1 (0.42) ADH1AADH1CALDH1A1KDM4ERAB9A

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-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-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
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 LMNA 2562/4885ADH1A 3154/4885ADH1C 1570/4885

“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.