SCHEMBL26547489

SCHEMBL26547489

Nc1ncccc1CCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.51
NAPRT Q6XQN6 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
BACE1 P56817 1/20 0.44
TBXAS1 P24557 8/20 0.44
KDM4E B2RXH2 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
SCHEMBL7387417 0.90 SHMT2 (0.54) SHMT2NAPRTBACE1TBXAS1KDM4E
SCHEMBL31329316 0.88 TLR8 (0.46) SHMT2NAPRTSMN1; SMN2BACE1KDM4E
Hydrochloric Acid SCHEMBL31048796 0.88 SHMT2 (0.53) SHMT2NAPRTBACE1TBXAS1KDM4E
Hydrochloric Acid SCHEMBL28366326 0.88 SHMT2 (0.53) SHMT2NAPRTBACE1TBXAS1KDM4E
SCHEMBL2491261 0.79 KDM4E (0.62) SHMT2NAPRTBACE1KDM4ECYP1A2
SCHEMBL29556418 0.79 KDM4E (0.62) SHMT2NAPRTBACE1KDM4ECYP1A2
SCHEMBL6834581 0.79 BACE1 (0.49) SHMT2NAPRTBACE1KDM4EALDH1A1
SCHEMBL30684525 0.78 CHRM1 (0.56) SMN1; SMN2TBXAS1MEN1KMT2AALDH1A1
SCHEMBL2570049 0.77 TBXAS1 (0.51) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL31329320 0.76 MTNR1A (0.43) SHMT2NAPRTSMN1; SMN2BACE1KDM4E

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 SHMT2 270/4885NAPRT 1910/4885HDAC3 894/4885

“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.