SCHEMBL21408751

SCHEMBL21408751

C=C(Br)CNC(=O)c1ccnnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL13113096 0.80 HCAR2 (0.48) PREPHCAR2HDAC3HDAC1THRB
SCHEMBL22322593 0.77 KDM4E (0.51) PREPHCAR2HDAC3HDAC1THRB
SCHEMBL13101050 0.76 PREP (0.45) PREPHCAR2HDAC3HDAC1THRB
SCHEMBL1880894 0.73 KDM4E (0.61) PREPHCAR2HDAC3HDAC1HTT
SCHEMBL21431437 0.72 CA12 (0.50) PREPHCAR2HDAC3HDAC1THRB
SCHEMBL21431570 0.72 HCAR2 (0.43) PREPHCAR2HDAC3HDAC1KMT2A
SCHEMBL25060913 0.71 HCAR2 (0.59) HCAR2HDAC3HDAC1
SCHEMBL10245905 0.71 NAAA (0.60) HCAR2HDAC3HDAC1SMN1; SMN2HTT
SCHEMBL15738287 0.70 SMN1; SMN2 (0.54) HCAR2HDAC3HDAC1SMN1; SMN2HTT
SCHEMBL22018098 0.70 HCAR2 (0.57) HCAR2SMN1; SMN2HTT

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 6 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
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
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 PREP 617/4885HCAR2 1087/4885HDAC3 636/4885

“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.