SCHEMBL842831

SCHEMBL842831

CC(C)(C)OC(=O)NCCCNc1c([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.44
ACHE P22303 6/20 0.44
BRD4 O60885 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 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
SCHEMBL8125697 0.83 BCHE (0.47) BCHEACHEBRD4MEN1NPC1
SCHEMBL6095773 0.82 BRD4 (0.39) BRD4MEN1GAAKMT2A
SCHEMBL8137366 0.81 BCHE (0.47) BCHEACHEBRD4MEN1NPC1
SCHEMBL6095576 0.81 BRD4 (0.38) BRD4
SCHEMBL7823369 0.81 EGFR (0.44) BCHEACHEMEN1NPC1GAA
SCHEMBL842730 0.78 TLR7 (0.42) MEN1GAARAB9AKMT2A
SCHEMBL8114585 0.78 ATM (0.47) MEN1NPC1GAARAB9AKMT2A
SCHEMBL1233074 0.77 STK17B (0.44) BCHEACHEBRD4MEN1NPC1
SCHEMBL843596 0.77 BCHE (0.49) BCHEACHEBRD4MEN1NPC1
SCHEMBL1036949 0.76 BRD4 (0.44) BCHEACHEBRD4MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 BCHE 3926/4885ACHE 4636/4885BRD4 149/4885

“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.