SCHEMBL18965336

SCHEMBL18965336

CO/N=C1/CCN(C(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL10268675 0.88 CHRNA7 (0.57) CHRNA7HRH3KDM4ECYP1A2CYP3A4
SCHEMBL26868235 0.81 CHRNA7 (0.50) CHRNA7HRH3KDM4ECYP1A2CYP3A4
SCHEMBL18843843 0.77 CHRNA7 (0.54) CHRNA7ALDH1A1GAATHRBL3MBTL1
SCHEMBL25081039 0.77 CHRNA7 (0.31) CHRNA7MEN1KMT2A
SCHEMBL22778561 0.77 CHRNA7 (0.32) CHRNA7
SCHEMBL13946083 0.75 CHRNA7 (0.76) CHRNA7ALDH1A1GAATHRBL3MBTL1
SCHEMBL18600363 0.72
SCHEMBL6453856 0.72
SCHEMBL30960963 0.72 CHRNA7 (0.36) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL19459225 0.68 CHRNA7 (0.39) CHRNA7ALDH1A1GAATHRBL3MBTL1

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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 US disclosed
WO-2017097927-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-06-15 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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 CHRNA7 1392/4885ALDH1A1 533/4885GAA 769/4885

“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.