SCHEMBL22749220

SCHEMBL22749220

CCCCNc1cn(CCOC(C)=O)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ SCN5A Q14524 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SENP7 Q9BQF6 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
SCHEMBL22749175 0.80 CNR2 (0.47) ALDH1A1SCN5AABCB11CYP3A4ADRA2B
SCHEMBL29538956 0.77 ALDH1A1 (0.43) ALDH1A1CNR2SMN1; SMN2LMNAKDM6B
SCHEMBL22749221 0.76 CNR2 (0.46) CNR2KDM4EGAARIPK1KDM6B
SCHEMBL22749197 0.74 ALDH1A1 (0.40) ALDH1A1SCN5AABCB11CYP3A4ADRA2B
SCHEMBL23380139 0.68 KDM4E (0.47) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL22749219 0.68 CNR2 (0.45) ALDH1A1CNR2KDM4ESMN1; SMN2GAA
SCHEMBL29219186 0.65 L3MBTL1 (0.45) ALDH1A1CYP3A4KDM4EMAPK1CYP1A2
SCHEMBL22749223 0.65 CNR2 (0.48) ALDH1A1CYP3A4CNR2KDM4EHTT
SCHEMBL29539179 0.65 ALDH1A1 (0.36) ALDH1A1CYP3A4SMN1; SMN2LMNAMAPK1
SCHEMBL23459750 0.65 ADORA3 (0.38) ALDH1A1KDM4EHTTSMN1; SMN2LMNA

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 4 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
WO-2020245759-A1 ANTIBACTERIAL COMPOUNDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2020-12-10 — — WO 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 931/4885SCN5A 1372/4885ABCB11 1/4885
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS ABCB11, CFTR, MRPL21 ALDH1A1 931/4885SCN5A 1372/4885ABCB11 1/4885

“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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