SCHEMBL31337604

SCHEMBL31337604

CC(C)(C)OC(=O)NCCCCNc1c([N+](=O)[O-])c(Cl)nc2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.44
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
BCHE P06276 6/20 0.40
ACHE P22303 6/20 0.40

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
SCHEMBL31337606 0.95 BCHE (0.40) BRD4STK17BSTK17ABCHEACHE
SCHEMBL22445116 0.93 BRD4 (0.46) BRD4STK17BSTK17A
SCHEMBL31709400 0.88 EGFR (0.42) BRD4ACHE
SCHEMBL8137366 0.87 BCHE (0.47) BRD4BCHEACHE
SCHEMBL31709315 0.85 STK17B (0.43) BRD4STK17BSTK17ABCHEACHE
SCHEMBL8125697 0.85 BCHE (0.47) BRD4STK17BSTK17ABCHEACHE
SCHEMBL31337610 0.85 STK17B (0.43) BRD4STK17BSTK17ABCHEACHE
SCHEMBL843596 0.81 BCHE (0.49) BRD4BCHEACHE
SCHEMBL203530 0.80 STK17B (0.42) BRD4STK17BSTK17ABCHEACHE
SCHEMBL31709559 0.79 BCHE (0.42) BRD4STK17BSTK17ABCHEACHE

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-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS SHANGHAI CO LTD (CN) 2025-10-23 US disclosed
CN-119365479-A Conjugates comprising Toll-like receptor agonists 慕宝盛科生物医药(上海)有限公司 2025-01-24 CN 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-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR7, TLR8 BRD4 1796/4885STK17B 385/4885STK17A 218/4885

“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.