SCHEMBL5713732

SCHEMBL5713732

N#CC(C(=O)O)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 11/20 0.45
GSTM2 P28161 11/20 0.45
MYC P01106 4/20 0.45
MAX P61244 1/20 0.45
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
IDO1 P14902 1/20 0.44
POLB P06746 2/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 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
SCHEMBL5714466 0.99 GSTP1 (0.47) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5714474 0.99 GSTP1 (0.47) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713929 0.88 GSTP1 (0.46) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5714469 0.88 GSTP1 (0.44) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713694 0.87 GSTP1 (0.48) GSTP1GSTM2MYCMAXIDO1
SCHEMBL5713701 0.87 GSTP1 (0.48) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5714132 0.85 GSTP1 (0.48) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713930 0.84 GSTP1 (0.47) GSTP1GSTM2MYCMAXMEN1
SCHEMBL5713654 0.84 GSTM2 (0.49) GSTP1GSTM2MEN1KMT2AIDO1
SCHEMBL5713923 0.84 GSTP1 (0.50) GSTP1GSTM2MYCMAXMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261591-B1 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS WELLA AG (DE) 2006-03-08 EP claimed
US-20040139563-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds Wella GmbH (DE) 2004-07-22 US claimed
US-20040139562-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds Wella GmbH (DE) 2004-07-22 US claimed
US-20030171594-A1 7-Nitro-2,1,3-benzoxadiazole derivatives and 7-nitro-2,1,3-benzthiadiazole derivatives and dyes, which contain these compounds and which are used for dying keratin fibers Wella GmbH (DE) 2003-09-11 US claimed
EP-1261591-A1 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2002-12-04 EP claimed
WO-2002076961-A1 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-03 WO claimed
US-7083656-B2 7-nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds WELLA AG (DE) 2006-08-01 US disclosed
US-6908492-B2 7-nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-06-21 US disclosed
US-6869454-B2 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-03-22 US disclosed
US-20040226108-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds Wella GmbH (DE) 2004-11-18 US disclosed
US-20040139563-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds Wella GmbH (DE) 2004-07-22 US disclosed
US-20040139562-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds Wella GmbH (DE) 2004-07-22 US disclosed
US-6726730-B2 HAIR DYES WHICH ARE READILY SOLUBLE IN WATER AND DISTINGUISHED BY UNIFORM ABSORPTION BEHAVIOR AND HIGH WASHING STABILITY; ENABLE DYEING UNDER GENTLE AND SKIN-COMPATIBLE CONDITIONS WELLA AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
US-20030171594-A1 7-Nitro-2,1,3-benzoxadiazole derivatives and 7-nitro-2,1,3-benzthiadiazole derivatives and dyes, which contain these compounds and which are used for dying keratin fibers Wella GmbH (DE) 2003-09-11 US disclosed
EP-1261591-A1 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2002-12-04 EP disclosed
WO-2002076961-A1 7-NITRO-2,1,3-BENZOXADIAZOLE DERIVATIVES AND 7-NITRO-2,1,3-BENZTHIADIAZOLE DERIVATIVES AND DYES, WHICH CONTAIN THESE COMPOUNDS AND WHICH ARE USED FOR DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2002-10-03 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 (4 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-20040226108-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds KRT18, NUCB2, NDUFA3 GSTP1 3179/4885GSTM2 3009/4885MYC 3346/4885
US-20040139562-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds KRT18, CNN2, TUBB1 GSTP1 2128/4885GSTM2 2110/4885MYC 3881/4885
US-20030171594-A1 7-Nitro-2,1,3-benzoxadiazole derivatives and 7-nitro-2,1,3-benzthiadiazole derivatives and dyes, which contain these compounds and which are used for dying keratin fibers KRT18, CASP5, CASP7 GSTP1 2412/4885GSTM2 2464/4885MYC 3769/4885
US-20040139563-A1 7-Nitro-2,1,3-benzoxadiazole and 7-nitro-2,1,3-benzthiadiazole derivatives, as well dyeing agents for keratin fibers containing these compounds KRT18, CNN2, TUBB1 GSTP1 2128/4885GSTM2 2110/4885MYC 3881/4885

“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.