Sugi Predict

Sugi Predict / Compounds / SCHEMBL203513

SCHEMBL203513

SCHEMBL203513

CC(C)(C)OC(=O)NNc1c([N+](=O)[O-])cnc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 9/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ HTT P42858 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MET P08581 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ CTSB P07858 2/20 0.36
▸ IDO1 P14902 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
SCHEMBL202860 0.84 GAA (0.62) MEN1KMT2ANPC1GAARAB9A
SCHEMBL12756915 0.84 KDM4E (0.39) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL4151900 0.84 LATS1 (0.43) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL3357329 0.83 BCHE (0.44) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL202692 0.82 RAB9A (0.52) MEN1KMT2ANPC1GAARAB9A
SCHEMBL3351829 0.82 KDM4E (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL1233020 0.82 KDM4E (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL14605208 0.81 JAK1 (0.40) ALDH1A1SMN1; SMN2CTSBDRD2L3MBTL1
SCHEMBL4402213 0.80 MAPT (0.42) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL6326856 0.78 POLB (0.52) MEN1KMT2ANPC1GAARAB9A

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-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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 — — US disclosed
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 — — US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 — — 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 (2 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 MEN1 2721/4885KMT2A 3187/4885NPC1 3339/4885
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 MEN1 4112/4885KMT2A 3293/4885NPC1 2438/4885

“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.