SCHEMBL22749221

SCHEMBL22749221

CCCCCNc1cn(C)nc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HCAR3 P49019 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TLR8 Q9NR97 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ KDM6B O15054 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ ASAH1 Q13510 1/20 0.34

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 0.96 CNR2 (0.47) CNR2KDM4EGAAHCAR3KMT2A
SCHEMBL22749219 0.88 CNR2 (0.45) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL22749220 0.76 ALDH1A1 (0.36) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL21960946 0.76 CNR2 (0.55) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL25796607 0.74 CNR2 (0.53) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL22749207 0.73 CNR2 (0.47) CNR2KDM4EGAAHCAR3MGLL
SCHEMBL21000857 0.72 SMN1; SMN2 (0.50) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL4443917 0.72 CNR2 (0.47) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL17923514 0.72 CNR2 (0.51) CNR2KDM4EGAAKMT2AMEN1
SCHEMBL22175937 0.70 CNR2 (0.42) CNR2KDM4EGAAKMT2AMEN1

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 CNR2 4529/4885KDM4E 3651/4885GAA 49/4885
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS ABCB11, CFTR, MRPL21 CNR2 4529/4885KDM4E 3651/4885GAA 49/4885

“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.

Send feedback