SCHEMBL5008296

SCHEMBL5008296

Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
CYP1A2 P05177 1/20 0.50
GRIK1 P39086 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
BLM P54132 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL30896324 0.86 GAA (0.51) GAAMAPTLMNAHPGDGRIN2D
SCHEMBL14819940 0.86 GAA (0.51) GAAMAPTLMNAHPGDGRIN2D
SCHEMBL7478895 0.86 GAA (0.51) GAAMAPTLMNAHPGDTSHR
SCHEMBL2004172 0.86 GAA (0.51) GAAMAPTLMNAHPGDCYP3A4
SCHEMBL13544185 0.86 MAPT (0.54) GAAMAPTLMNAHPGDCYP3A4
SCHEMBL7478904 0.86 GAA (0.51) GAAMAPTLMNAHPGDCYP3A4
SCHEMBL7475993 0.84 GAA (0.49) GAAMAPTPOLBALDH1A1TDP1
SCHEMBL7475985 0.84 GAA (0.49) GAAMAPTCYP3A4BLMPOLB
SCHEMBL4364726 0.80 GAA (0.59) GAAMAPTLMNAHPGDCYP3A4
SCHEMBL28118863 0.77 GAA (0.56) GAAMAPTLMNAHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470827-B2 Composition for the vapor phase dehydrohalogenation of 1,1,2-trihaloethane to 1,1-dihaloethylene and methods for preparing and using such composition PPG INDUSTRIES OHIO, INC. (US) 2008-12-30 US disclosed
US-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition PPG INDUSTRIES OHIO, INC (US) 2008-10-02 US disclosed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 WO disclosed
US-20040157852-A1 Tricyclic quinoxaline derivatives as protein tyrosine kinase inhibitors SUGEN, INC. 2004-08-12 US disclosed
US-6656940-B2 Treatment of cancer. SUGEN, INC. 2003-12-02 US disclosed
US-20020055511-A1 Tricyclic quinoxaline derivatives as protein tyrosine kinase inhibitors SUGEN, INC. 2002-05-09 US disclosed
US-6329375-B1 ENZYME INHIBITORS AND ANTIINFLAMMATORY AGENTS SUGEN, INC. 2001-12-11 US disclosed
WO-1999007701-A1 TRICYCLIC QUINOXALINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS SUGEN, INC. (US) 1999-02-18 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 (3 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-20020055511-A1 Tricyclic quinoxaline derivatives as protein tyrosine kinase inhibitors PDXK, TK1, ABL1 GAA 1411/4885MAPT 3699/4885LMNA 3816/4885
US-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition CYP2E1, CYP1A1, HDHD5 GAA 1157/4885MAPT 3595/4885LMNA 4247/4885
US-20040157852-A1 Tricyclic quinoxaline derivatives as protein tyrosine kinase inhibitors PDXK, TK1, ABL1 GAA 1411/4885MAPT 3699/4885LMNA 3816/4885

“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.