SCHEMBL29539179

SCHEMBL29539179

[2H]c1nn(CCOC(C)=O)c(C)c1NCCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ FAAH O00519 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL29538560 0.81 MAPT (0.34) ALDH1A1NPSR1MEN1MAPTBLM
SCHEMBL22749197 0.72 ALDH1A1 (0.40) ALDH1A1LMNANPSR1PDE5APDE4B
SCHEMBL22749220 0.65 ALDH1A1 (0.36) ALDH1A1LMNANPSR1MEN1GMNN
SCHEMBL29538956 0.64 ALDH1A1 (0.43) ALDH1A1LMNANPSR1CYP1A2MAPT
SCHEMBL22749207 0.62 CNR2 (0.47) ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL27718231 0.61 MAPK1 (0.58) ALDH1A1LMNAMEN1CYP1A2CYP3A4
Hexane SCHEMBL20638505 0.61 ALDH1A1 (0.80) ALDH1A1FAAHLMNATSHRSMN1; SMN2
SCHEMBL24929487 0.61 ALDH1A1 (0.65) ALDH1A1FAAHTSHR
SCHEMBL30604754 0.61 ALDH1A1 (0.65) ALDH1A1FAAHTSHR
Acetic Acid Butyl Ester SCHEMBL29163494 0.60 ALDH1A1 (0.69) ALDH1A1FAAHTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358919-B2 Antibacterial compounds UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2025-07-15 — — US disclosed
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2022-07-28 — — US disclosed
EP-3980418-A1 ANTIBACTERIAL COMPOUNDS Universita' Degli Studi di Siena (IT) 2022-04-13 — — 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-12358919-B2 Antibacterial compounds ABCB11, CFTR, MRPL21 ALDH1A1 931/4885FAAH 3208/4885LMNA 4093/4885
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS ABCB11, CFTR, MRPL21 ALDH1A1 931/4885FAAH 3208/4885LMNA 4093/4885

“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.

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