SCHEMBL103990

SCHEMBL103990

COCCN(N=O)C(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL103091 0.78 CA12 (0.37)
SCHEMBL178735 0.76 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL3211309 0.75 HPGD (0.41) HPGDCYP1A2CYP2C9CYP2C19PIK3CD
SCHEMBL1911520 0.74 PIK3CD (0.43) HPGDCYP1A2CYP2C9CYP2C19PIK3CD
SCHEMBL23308153 0.73 HPGD (0.38) HPGDCYP1A2CYP2C9CYP2C19PIK3CD
SCHEMBL103983 0.73 TSHR (0.36)
SCHEMBL16160775 0.72 PIK3CD (0.38) HPGDCYP1A2CYP2C9CYP2C19PIK3CD
SCHEMBL20280513 0.71 MLYCD (0.43) HPGDCYP1A2CYP2C9CYP2C19PIK3CD
SCHEMBL17471251 0.69 PIK3CD (0.48) HPGDCYP1A2CYP2C9CYP2C19PIK3CD
SCHEMBL28319221 0.67 BLM (0.33)

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
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
WO-2010132509-A2 COMPOUNDS DERIVED FROM MUSCODOR FUNGI AGRAQUEST, INC. (US) 2010-11-18 WO 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 HPGD 4016/4885CYP1A2 808/4885CYP2C9 2139/4885

“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.