SCHEMBL202860

SCHEMBL202860

CC(C)(C)OC(=O)NNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 2/20 0.62
ALOX5 P09917 1/20 0.39
MET P08581 2/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 3/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5415676 0.85 NPC1 (0.46) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL203513 0.84 MEN1 (0.48) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL12757193 0.84 MEN1 (0.45) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL1041911 0.84 MEN1 (0.45) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL5420390 0.83 MEN1 (0.48) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL203034 0.83 LATS1 (0.45) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL1231854 0.83 BCHE (0.48) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL5796170 0.82 MAPT (0.47) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL204370 0.81 GAA (0.68) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL1036949 0.81 BRD4 (0.44) GAAMEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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 (3 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 GAA 1643/4885MEN1 2757/4885KMT2A 2385/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 GAA 1643/4885MEN1 2757/4885KMT2A 2385/4885
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 GAA 2107/4885MEN1 4112/4885KMT2A 3293/4885

“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.