SCHEMBL2839282

SCHEMBL2839282

COc1cc([N+](=O)[O-])c(C#N)cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP1A2 P05177 2/20 0.46
GRM6 O15303 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
VCAM1 P19320 1/20 0.45

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
SCHEMBL5323748 0.94 MAPT (0.46) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL2773208 0.88 MAPT (0.53) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL19295308 0.87 ALDH1A1 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5291433 0.83 MAPT (0.54) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL34462079 0.83 MAPT (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL26426493 0.83 MAPT (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL27978299 0.83 EGFR (0.47) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL11251378 0.81 ALDH1A1 (0.55) MAPTALOX15CYP1A2TDP1POLB
SCHEMBL17429736 0.81 VCAM1 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL14993728 0.81 TDP1 (0.42) MAPTGRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
EP-1912981-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-04-23 EP disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014927-A2 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 MAPT 4860/4885GRIA1 3234/4885GRIA2 4208/4885

“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.