SCHEMBL29947745

SCHEMBL29947745

CC(C)(C)OC(=O)Nc1cccc(CNc2c([N+](=O)[O-])cnc3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
RPS6KB1 P23443 3/20 0.51
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
TLR7 Q9NYK1 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MET P08581 2/20 0.40
AURKB Q96GD4 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 1/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39

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
SCHEMBL29136627 1.00 AURKA (0.51) AURKARPS6KB1TOP2ATOP2BTLR7
SCHEMBL29136634 0.90 AURKA (0.48) AURKARPS6KB1TOP2ATOP2BMMP1
SCHEMBL29947686 0.90 AURKA (0.48) AURKARPS6KB1TOP2ATOP2BMMP1
SCHEMBL26981143 0.86 PDE5A (0.45) METLMNAMAPTGRM5SENP5
SCHEMBL29947712 0.85 AURKA (0.56) AURKARPS6KB1TOP2ATOP2BTLR7
SCHEMBL29136646 0.85 AURKA (0.56) AURKARPS6KB1TOP2ATOP2BTLR7
SCHEMBL29947704 0.85 EGFR (0.44) BRD4LMNAMAPTGRM5
SCHEMBL29136628 0.85 EGFR (0.44) BRD4LMNAMAPTGRM5
SCHEMBL12757193 0.80 MEN1 (0.45) TOP2ATOP2BMETLMNAMAPT
SCHEMBL1041911 0.80 MEN1 (0.45) TOP2ATOP2BMETLMNAMAPT

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-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-13 US disclosed
EP-4301417-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES The Research Foundation for The State University of New York (US) 2024-01-10 EP disclosed
WO-2022187809-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-09 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 (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-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES TLR7, TLR8, TLR9 AURKA 4094/4885RPS6KB1 328/4885TOP2A 1168/4885

“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.