SCHEMBL29947704

SCHEMBL29947704

CC(C)(C)OC(=O)NCc1ccc(CNc2c([N+](=O)[O-])cnc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
GRM5 P41594 1/20 0.43
NAMPT P43490 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.39
NTSR1 P30989 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 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
SCHEMBL29136628 1.00 EGFR (0.44) EGFRGRM5NAMPTMEN1KMT2A
SCHEMBL29136634 0.91 AURKA (0.48) EGFRGRM5NAMPTMEN1KMT2A
SCHEMBL29947686 0.91 AURKA (0.48) EGFRGRM5NAMPTMEN1KMT2A
SCHEMBL12757193 0.89 MEN1 (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1231854 0.88 BCHE (0.48) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1036949 0.86 BRD4 (0.44) MEN1KMT2AGAANPC1RAB9A
SCHEMBL203034 0.86 LATS1 (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1233074 0.86 STK17B (0.44) MEN1KMT2AGAANPC1RAB9A
SCHEMBL29136627 0.85 AURKA (0.51) GRM5BRD4MAPTLMNA
SCHEMBL29947745 0.85 AURKA (0.51) GRM5BRD4MAPTLMNA

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-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
US-11484599-B2 Polymer conjugate vaccines THE UNIVERSITY OF CHICAGO (US) 2022-11-01 US 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 (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-20240189440-A1 TLR7 AND TLR8 AGONISTS FOR THE TREATMENT OF CANCER AND/OR INFECTIOUS DISEASES TLR7, TLR8, TLR9 EGFR 747/4885GRM5 879/4885NAMPT 2656/4885
US-11484599-B2 Polymer conjugate vaccines CD14, TLR3, TLR1 EGFR 618/4885GRM5 456/4885NAMPT 2618/4885

“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.