SCHEMBL204085

SCHEMBL204085

NCCCNc1c([N+](=O)[O-])cnc2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.43
STK17A Q9UEE5 1/20 0.42
PTGES O14684 1/20 0.41
SYK P43405 2/20 0.40
DHFR P00374 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
EGFR P00533 1/20 0.38
PRKCQ Q04759 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3862249 0.88 PTGES (0.41) PTGESDHFRCYP1A2CYP3A4CYP2D6
SCHEMBL202444 0.88 PTGES (0.41) PTGESEGFRLMNAHPGDATM
SCHEMBL3867941 0.87 PTGES (0.41) PTGESDHFRCYP1A2CYP3A4CYP2D6
SCHEMBL3871117 0.87 GSTM2 (0.41) PTGESEGFRLMNAHPGDATM
SCHEMBL3862358 0.86 GSTM2 (0.42) PTGESDHFRLMNAHPGDATM
SCHEMBL3863530 0.85 PTGES (0.39) PTGESEGFRLMNA
SCHEMBL3868943 0.84 MAPT (0.43) PTGESLMNAHPGDATM
SCHEMBL3868941 0.84 MAPT (0.43) PTGESLMNAHPGDATM
SCHEMBL3864107 0.84 PTGES (0.40) PTGESEGFRLMNAHPGDATM
SCHEMBL3864103 0.84 PTGES (0.40) PTGESEGFRLMNAHPGDATM

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-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

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 KAT2B 4166/4885STK17A 2780/4885PTGES 181/4885

“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.