SCHEMBL12226830

SCHEMBL12226830

CCOC(=O)C=Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.74
LMNA P02545 2/20 0.71
ALDH1A1 P00352 6/20 0.68
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.63
HPGD P15428 1/20 0.63
MAPT P10636 2/20 0.61
RAB9A P51151 2/20 0.61
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
ATM Q13315 1/20 0.59
NPC1 O15118 1/20 0.58
MAOB P27338 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL4688056 1.00 STAT3 (0.74) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL4688054 1.00 STAT3 (0.74) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL1399074 0.91 STAT3 (0.62) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL1399073 0.91 STAT3 (0.62) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL1177984 0.89 STAT3 (0.60) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL6986690 0.89 STAT3 (0.60) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL16466488 0.85 RAB9A (0.56) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL10670403 0.85 BACE1 (0.64) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL10348541 0.85 BACE1 (0.64) STAT3LMNAALDH1A1KMT2AMEN1
SCHEMBL11155032 0.85 ALDH1A1 (0.62) STAT3LMNAALDH1A1KMT2AMEN1

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-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 STAT3 1131/4885LMNA 1566/4885ALDH1A1 1319/4885

“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.