SCHEMBL6653635

SCHEMBL6653635

CCN(CC)CCN(CCN(CC)CC)c1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
TSHR P16473 3/20 0.65
MAPK1 P28482 3/20 0.65
CYP3A4 P08684 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
PSMD14 O00487 1/20 0.65
RECQL P46063 1/20 0.65
GFER P55789 1/20 0.65
LMNA P02545 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 2/20 0.45
ACHE P22303 2/20 0.45
MAOA P21397 2/20 0.45
HTR3A P46098 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
BLM P54132 2/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL9521212 0.94 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1CYP3A4TDP1
Hydrochloric Acid SCHEMBL11695056 0.93 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL14596279 0.90 ALDH1A1 (0.69) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL29740663 0.85 ALDH1A1 (0.82) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL33801 0.80 TDP1 (0.67) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL8467252 0.80 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL33781 0.80 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL6822008 0.79 ALDH1A1 (0.79) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4717774 0.78 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
Hydrochloric Acid SCHEMBL970320 0.78 ALDH1A1 (0.95) ALDH1A1TSHRMAPK1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US claimed
EP-1265846-B1 IMPROVED SYNTHESIS OF N,N-DISUBSTITUTED-p-PHENYLENEDIAMINE ANTICANCER INC (US) 2004-06-23 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
US-6340596-B1 COLORIMETRIC ANALYSIS; REACTING HYDROGEN SULFIDE WITH P-(DIALKYLAMINO)-ANILINE DERIVATIVE AND OXIDIZING AGENT UNDER ACIDIC CONDITIONS FUJIREBIO INC. (JP) 2002-01-22 US disclosed
EP-0936466-A2 Reagent composition for measuring hydrogen sulfide and method for measuring hydrogen sulfide FUJIREBIO INC. (JP) 1999-08-18 EP 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 ALDH1A1 1370/4885TSHR 4380/4885MAPK1 1457/4885

“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.