SCHEMBL203548

SCHEMBL203548

CC(=O)OCCCNc1c([N+](=O)[O-])cnc2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MAPT P10636 7/20 0.38
AGTR1 P30556 2/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 5/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
RXFP1 Q9HBX9 3/20 0.37
MITF O75030 1/20 0.37
XBP1 P17861 1/20 0.37
BLM P54132 1/20 0.37
PTGES O14684 1/20 0.37
EGFR P00533 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 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
SCHEMBL3863530 0.88 PTGES (0.39) MAPTHTTLMNAALDH1A1PTGES
SCHEMBL3168177 0.86 MAPT (0.39) MAPK1MAPTAGTR1NTSR1HTT
SCHEMBL2368975 0.85 ALDH1A1 (0.39) MAPK1MAPTHPGDLMNAATM
SCHEMBL202444 0.84 PTGES (0.41) MAPK1MAPTHPGDLMNAATM
SCHEMBL6224021 0.84 MAPK1 (0.39) MAPK1MAPTHPGDLMNAATM
SCHEMBL202429 0.83 MAPK1 (0.42) MAPK1HTTLMNAATMALDH1A1
SCHEMBL3871117 0.83 GSTM2 (0.41) MAPK1MAPTHPGDLMNAATM
SCHEMBL3868943 0.82 MAPT (0.43) MAPK1MAPTHPGDLMNAATM
SCHEMBL3868941 0.82 MAPT (0.43) MAPK1MAPTHPGDLMNAATM
SCHEMBL3862358 0.82 GSTM2 (0.42) MAPK1MAPTHPGDLMNAATM

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 3 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 MAPK1 2745/4885MAPT 4635/4885AGTR1 870/4885

“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.