SCHEMBL4269488

SCHEMBL4269488

CN(C)/C=C/C(=O)c1ccnnc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.67
RECQL P46063 2/20 0.56
MAPT P10636 10/20 0.53
LMNA P02545 5/20 0.53
RAB9A P51151 5/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALOX12 P18054 1/20 0.53
ALDH1A1 P00352 9/20 0.50
GAA P10253 4/20 0.49
HCAR2 Q8TDS4 1/20 0.48
NPC1 O15118 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4269491 1.00 HTT (0.67) HTTRECQLMAPTLMNARAB9A
SCHEMBL1862 0.80 HTT (1.00) HTTRECQLMAPTLMNARAB9A
SCHEMBL7221012 0.80 HTT (1.00) HTTRECQLMAPTLMNARAB9A
SCHEMBL1863 0.80 HTT (1.00) HTTRECQLMAPTLMNARAB9A
SCHEMBL1218 0.78 HTT (0.65) HTTRECQLMAPTLMNARAB9A
SCHEMBL29364482 0.78 HTT (0.65) HTTRECQLMAPTLMNARAB9A
SCHEMBL30269691 0.78 HTT (0.65) HTTRECQLMAPTLMNARAB9A
SCHEMBL1643 0.78 HTT (0.65) HTTRECQLMAPTLMNARAB9A
SCHEMBL9486033 0.78 HTT (0.65) HTTRECQLMAPTLMNARAB9A
SCHEMBL23251385 0.77 MAPT (0.81) HTTRECQLMAPTLMNARAB9A

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 10 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
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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 (2 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 HTT 672/4885RECQL 1593/4885MAPT 4018/4885
US-20060014742-A1 Amide derivative ABL1, ABL2, BCR HTT 2559/4885RECQL 1376/4885MAPT 4801/4885

“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.