SCHEMBL6469206

SCHEMBL6469206

CCCCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.56
HCAR3 P49019 2/20 0.51
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
KAT2B Q92831 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL11445418 0.95 MAPT (0.69) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL17819067 0.91 MAPT (0.56) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL9245039 0.90 MAPT (0.51) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL3478216 0.86 MAPT (0.56) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL27668932 0.84 MAPT (0.57) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL7015793 0.84 MAPT (0.48) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL27325815 0.83 MAPT (0.47) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL1170743 0.82 KAT2B (0.69) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL3666744 0.82 GSTM2 (0.52) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL3664450 0.81 GPR35 (0.50) MAPTTDP1L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838482-B2 Fungicidal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
US-20030055096-A1 Fungicidal composition OGURI YUKIO (JP) 2003-03-20 US disclosed
EP-0741970-A1 BACTERICIDAL COMPOSITION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-13 EP disclosed
US-4077795-A 2,4-DINITROANILINE DERIVATIVES UNION CARBIDE CORPORATION (US) 1978-03-07 US 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-20030055096-A1 Fungicidal composition CBR1, CBR3, CYP1B1 MAPT 3517/4885TDP1 2627/4885L3MBTL1 3487/4885

“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.