SCHEMBL5410340

SCHEMBL5410340

Nc1c(/N=N/c2ccc(S(=O)(=O)O)cc2)cnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.48
PTPN1 P18031 7/20 0.48
PTPN6 P29350 7/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
PTGS2 P35354 3/20 0.46
PTGS1 P23219 2/20 0.46
LOX P28300 2/20 0.46
MAPT P10636 3/20 0.45
PTPN2 P17706 1/20 0.44
XDH P47989 1/20 0.41
POLB P06746 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5410341 1.00 PTPN11 (0.48) PTPN11PTPN1PTPN6CA12CA1
SCHEMBL5408682 0.85 PTGS2 (0.51) PTPN11PTPN1PTPN6CA12CA1
SCHEMBL5408685 0.85 PTGS2 (0.51) PTPN11PTPN1PTPN6CA12CA1
SCHEMBL17088269 0.78 POLB (0.61) PTPN11PTPN1PTPN6CA12CA1
SCHEMBL12126424 0.77 RPS6KA3 (0.48) PTPN11PTPN1PTPN6CA12CA2
SCHEMBL29805379 0.76 RPS6KA3 (0.47) PTPN11PTPN1PTPN6CA12CA2
SCHEMBL12854629 0.72 POLB (0.55) CA12CA1CA2CA9PTGS2
SCHEMBL4070857 0.72 POLB (0.55) CA12CA1CA2CA9PTGS2
SCHEMBL3435585 0.71 ENPP2 (0.51) PTPN11PTPN1PTPN6MAPTPTPN2
SCHEMBL13430482 0.69 PTGS2 (0.48) CA12CA1CA2CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
EP-1562540-B1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2006-08-30 EP disclosed
EP-1562540-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
US-20050081312-A1 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-04-21 US disclosed
WO-2004047781-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2004-06-10 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-20050081312-A1 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds KRT18, F12, HCN3 PTPN11 3115/4885PTPN1 3342/4885PTPN6 3387/4885

“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.