SCHEMBL26547331

SCHEMBL26547331

O=C(O)CCCCN1C=NCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TBXAS1 P24557 3/20 0.38
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
AMPD2 Q01433 1/20 0.33
AMPD3 Q01432 1/20 0.33
AMPD1 P23109 1/20 0.33
PTGIR P43119 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL29137865 0.88 TBXAS1 (0.42) CYP1A2MAPK1SMN1; SMN2TBXAS1PTGS1
SCHEMBL26547315 0.84 CYP1A2 (0.44) CYP1A2MAPK1SMN1; SMN2TBXAS1PTGS1
SCHEMBL30426268 0.80 ALDH1A1 (0.45) CYP1A2PTGS1PTGS2LMNATSHR
SCHEMBL9740247 0.77 GLA (0.37) CYP1A2MAPK1SMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL11622681 0.75 GLA (0.40) CYP1A2MAPK1SMN1; SMN2TBXAS1LMNA
SCHEMBL31425249 0.75 L3MBTL1 (0.35) CYP1A2TBXAS1
Water SCHEMBL28143654 0.74 GLA (0.35) CYP1A2MAPK1SMN1; SMN2FABP4FABP5
SCHEMBL11120717 0.74 ALDH1A1 (0.38) CYP1A2TBXAS1PTGS1PTGS2
Water SCHEMBL28143655 0.74 GLA (0.35) CYP1A2MAPK1SMN1; SMN2FABP4FABP5
SCHEMBL18986137 0.73 KEAP1 (0.32) SMN1; 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 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 CYP1A2 201/4885MAPK1 4313/4885SMN1; SMN2 4533/4885

“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.