SCHEMBL4692876

SCHEMBL4692876

N#CCCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 4/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
KCNMA1 Q12791 1/20 0.43
MAPK1 P28482 1/20 0.43
PRSS1 P07477 3/20 0.43
HCAR3 P49019 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11975680 0.83 KAT2B (0.64) KAT2BALDH1A1TDP1TSHRMAPT
SCHEMBL8340870 0.82 GAA (0.62) ALDH1A1MAPTHTTLMNAPKM
SCHEMBL4086159 0.81 HCAR3 (0.63) KAT2BBCHEACHEALDH1A1TDP1
SCHEMBL5017636 0.81 ALDH1A1 (0.66) BCHEACHEALDH1A1TDP1TSHR
SCHEMBL15577144 0.80 GAA (0.51) KAT2BALDH1A1MAPTHTTLMNA
SCHEMBL1700085 0.80 MAPT (0.67) KAT2BTDP1MAPTLMNAPKM
SCHEMBL6203012 0.79 KAT2B (0.60) KAT2BALDH1A1TDP1MAPTHTT
SCHEMBL11543635 0.79 HCAR3 (0.57) ALDH1A1MAPTLMNAPKMPRSS1
SCHEMBL8336041 0.78 ALDH1A1 (0.56) KAT2BBCHEACHEALDH1A1TDP1
SCHEMBL4090213 0.77 HCAR3 (0.61) KAT2BBCHEACHEALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1912989-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007018998-A2 TRICYCLIC BENZIMIDAZOLES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
WO-2004108723-A1 4,5-DIHYDRO-IMIDAZO[4,5,1-II]QUINOLIN-6-ONES AS PARP INHIBITORS ALTANA PHARMA AG (DE) 2004-12-16 WO disclosed
WO-2004108723-A1 4,5-DIHYDRO-IMIDAZO[4,5,1-II]QUINOLIN-6-ONES AS PARP INHIBITORS ALTANA PHARMA AG (DE) 2004-12-16 WO disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed
CN-1384835-A Tricycle inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMA (US) 2002-12-11 CN disclosed
EP-1208104-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2002-05-29 EP disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 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-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B KAT2B 588/4885BCHE 1076/4885ACHE 2218/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B KAT2B 588/4885BCHE 1076/4885ACHE 2218/4885

“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.