SCHEMBL6662057

SCHEMBL6662057

CCN(CC)CCN(CCN(CC)CC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
ATM Q13315 2/20 0.51
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
TLR9 Q9NR96 1/20 0.49
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL29740662 0.87 MAPT (0.57) MAPTL3MBTL1ATMKCNH2ALDH1A1
SCHEMBL5692166 0.84 MAPT (0.62) MAPTL3MBTL1ATMKCNH2ALDH1A1
SCHEMBL160430 0.83 ALDH1A1 (0.57) MAPTL3MBTL1ATMALDH1A1MEN1
SCHEMBL4717364 0.82 MAPT (0.56) MAPTL3MBTL1ATMALDH1A1MEN1
Ethane SCHEMBL3302283 0.82 MAPT (0.60) MAPTL3MBTL1ATMKCNH2ALDH1A1
SCHEMBL12004712 0.81 MAPT (0.55) MAPTL3MBTL1ATMKCNH2ALDH1A1
SCHEMBL5835749 0.81 MAPT (0.73) MAPTL3MBTL1ATMKCNH2ALDH1A1
SCHEMBL13292848 0.81 MAPT (0.58) MAPTL3MBTL1ATMKCNH2ALDH1A1
SCHEMBL10490273 0.79 ALDH1A1 (0.53) MAPTL3MBTL1ATMALDH1A1MEN1
SCHEMBL3691462 0.78 MAPT (0.64) MAPTL3MBTL1ATMKCNH2ALDH1A1

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
EP-1265846-B1 IMPROVED SYNTHESIS OF N,N-DISUBSTITUTED-p-PHENYLENEDIAMINE ANTICANCER INC (US) 2004-06-23 EP disclosed
EP-1265846-A1 IMPROVED SYNTHESIS OF N,N-DISUBSTITUTED-p-PHENYLENEDIAMINE Anticancer, Inc. (US) 2002-12-18 EP disclosed
US-6448446-B1 ONCE THE PRODUCT DSPDA OR ITS SALT IS FORMED, OXYGEN MUST BE EXCLUDED FROM ALL MANIPULATIONS. ANTICANCER, INC. 2002-09-10 US disclosed
US-20020026080-A1 Synthesis of N,N-disubstituted-p-phenylenediamine ANTICANCER, INC. 2002-02-28 US disclosed
WO-2001051452-A1 IMPROVED SYNTHESIS OF N,N-DISUBSTITUTED-p-PHENYLENEDIAMINE ANTICANCER, INC. (US) 2001-07-19 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-20020026080-A1 Synthesis of N,N-disubstituted-p-phenylenediamine QDPR, PNMT, DDT MAPT 4273/4885L3MBTL1 3381/4885ATM 2313/4885

“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.