SCHEMBL21408786

SCHEMBL21408786

CN(C)C=NC(=O)c1ccnnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
HTT P42858 3/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TBXA2R P21731 2/20 0.33
TBXAS1 P24557 2/20 0.33
PIK3CD O00329 1/20 0.33
RECQL P46063 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 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
SCHEMBL21431824 1.00 HCAR2 (0.47) HCAR2HTTPOLBL3MBTL1ALDH1A1
SCHEMBL1919347 0.81 HTT (0.51) HTTPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1919344 0.81 HTT (0.51) HTTPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3272288 0.81 HTT (0.51) HTTPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28471466 0.80 HCAR2 (0.39) HCAR2HTTALDH1A1SMN1; SMN2RAB9A
SCHEMBL21431572 0.80 HCAR2 (0.39) HCAR2HTTALDH1A1SMN1; SMN2RAB9A
SCHEMBL11259705 0.79 ALDH1A1 (0.49) HCAR2HTTALDH1A1MEN1KMT2A
SCHEMBL11259703 0.79 ALDH1A1 (0.49) HCAR2HTTALDH1A1MEN1KMT2A
SCHEMBL18614535 0.74 DGAT1 (0.54) HTTPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18614534 0.74 DGAT1 (0.54) HTTPOLBL3MBTL1ALDH1A1SMN1; SMN2

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-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 US disclosed
EP-3774779-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
CN-111836806-A Herbicidal compounds 先正达参股股份有限公司 2020-10-27 CN disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 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-20210053957-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 HCAR2 1087/4885HTT 672/4885POLB 4100/4885

“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.