SCHEMBL4302908

SCHEMBL4302908

Cc1cc(NNC(=O)OC(C)(C)C)c([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LMNA P02545 2/20 0.30
PRMT1 Q99873 1/20 0.30

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
SCHEMBL4310774 0.79 GAA (0.37) ALOX5KMT2AGAANPC1RAB9A
SCHEMBL8114882 0.75 TLR7 (0.34) KMT2AGAAMEN1MAPTTDP1
SCHEMBL8127829 0.74 PDE4A (0.36) KMT2AGAAMAPTTDP1L3MBTL1
SCHEMBL8123311 0.74 MAPT (0.40) GAANPC1MAPTTDP1L3MBTL1
SCHEMBL8127293 0.73 ALDH1A1 (0.43) KMT2AGAAMAPTTDP1L3MBTL1
SCHEMBL8127295 0.72 LMNA (0.42) KMT2AGAAMEN1MAPTPOLB
SCHEMBL4296286 0.72 KMT2A (0.40) ALOX5KMT2AGAANPC1RAB9A
SCHEMBL27889625 0.72 ALOX5 (0.40) ALOX5KMT2AGAANPC1RAB9A
SCHEMBL9045533 0.71 AR (0.31) MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL6095773 0.69 BRD4 (0.39) KMT2AGAAMEN1TDP1

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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG ALOX5 3061/4885KMT2A 3187/4885GAA 2007/4885

“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.