SCHEMBL22326360

SCHEMBL22326360

CC(C)(C)C(=O)N1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PDE4B Q07343 2/20 0.46
PDE4D Q08499 1/20 0.46
MAPK1 P28482 1/20 0.45
DRD2 P14416 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ROCK1 Q13464 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL2616855 0.87 ATM (0.48) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL3585115 0.85 NOTUM (0.56) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL30575716 0.85 NOTUM (0.56) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL29985319 0.84 MAPT (0.49) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL395684 0.84 MAPT (0.49) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL11962995 0.84 MAPT (0.52) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL2616894 0.84 MAPT (0.47) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL399528 0.82 NOTUM (0.51) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL4426865 0.80 MAPT (0.55) ATMMAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL4425962 0.80 MAPT (0.57) ATMMAPTSMN1; SMN2PDE4BPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 US 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-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT ATM 673/4885MAPT 3403/4885SMN1; SMN2 4754/4885

“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.