SCHEMBL26547239

SCHEMBL26547239

O=C(O)CCCCC1CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
CPN1 P15169 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SLC6A1 P30531 4/20 0.46
SLC6A11 P48066 3/20 0.46
SLC6A13 Q9NSD5 3/20 0.46
GABRA5 P31644 2/20 0.46
GABRB2 P47870 2/20 0.46
SLC6A12 P48065 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRR1 P24046 1/20 0.46
GABRA4 P48169 1/20 0.46
KDM5A P29375 4/20 0.45

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
SCHEMBL5499051 0.95 KMT2A (0.55) NAAAKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL5500043 0.90 KMT2A (0.50) NAAAKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL26547233 0.89 SLC6A1 (0.58) NAAAKMT2AITGB3ITGA2BSLC6A1
SCHEMBL11844776 0.88 SLC6A1 (0.56) NAAAKMT2AITGB3ITGA2BSLC6A1
SCHEMBL13308547 0.87 KMT2A (0.62) NAAAKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL13308548 0.87 KMT2A (0.62) NAAAKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL2525645 0.87 KMT2A (0.62) NAAAKMT2ACHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8182632 0.86 KMT2A (0.60) NAAAKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL23909396 0.85 ITGB3 (0.60) NAAAITGB3ITGA2BSLC6A1SLC6A11
SCHEMBL5494841 0.84 SLC6A1 (0.60) NAAAKMT2ACHRNB2CHRNB4CHRNA3

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-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 US disclosed
US-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-10-19 US 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-20230331685-A1 HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF DDT, HDHD5, HPD NAAA 111/4885KMT2A 881/4885CHRNB2 3580/4885

“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.