SCHEMBL26547233

SCHEMBL26547233

O=C(O)CCCCC1CCNC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRB2 P47870 2/20 0.58
SLC6A12 P48065 2/20 0.58
SLC6A11 P48066 2/20 0.58
SLC6A13 Q9NSD5 2/20 0.58
GABRA1 P14867 1/20 0.58
GABRR1 P24046 1/20 0.58
GABRA4 P48169 1/20 0.58
ITGB3 P05106 3/20 0.56
ITGA2B P08514 3/20 0.56
NAAA Q02083 1/20 0.44
KDM5A P29375 4/20 0.42
PHF8 Q9UPP1 4/20 0.42
KDM2A Q9Y2K7 4/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM7A Q6ZMT4 1/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL11844776 0.98 SLC6A1 (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5494841 0.94 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL26547239 0.89 NAAA (0.54) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5751261 0.89 ITGB3 (0.69) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL17440475 0.87 ITGB3 (0.67) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5499043 0.86 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL31370174 0.86 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL29207730 0.86 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL29119874 0.85 ITGB3 (0.65) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL25181844 0.85 SLC6A1 (0.62) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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 SLC6A1 997/4885GABRA5 2254/4885GABRB2 1505/4885

“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.