SCHEMBL14596279

SCHEMBL14596279

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MAPK1 P28482 3/20 0.69
CYP3A4 P08684 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
TSHR P16473 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
PSMD14 O00487 1/20 0.69
RECQL P46063 1/20 0.69
GFER P55789 1/20 0.69
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 2/20 0.40
ACHE P22303 2/20 0.40
S100B P04271 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
MAOA P21397 1/20 0.40
HTR3A P46098 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
SCHEMBL29740663 0.92 ALDH1A1 (0.82) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL6653635 0.90 ALDH1A1 (0.65) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL14596277 0.87 ALDH1A1 (0.62) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL9521212 0.85 ALDH1A1 (0.59) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL2437580 0.84 ALDH1A1 (0.69) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL7520164 0.83 ALDH1A1 (0.75) ALDH1A1MAPK1CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL11695056 0.83 ALDH1A1 (0.57) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL8467252 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL33781 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL6389743 0.82 ALDH1A1 (0.72) ALDH1A1MAPK1CYP3A4TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 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-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 ALDH1A1 798/4885MAPK1 3482/4885CYP3A4 3949/4885

“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.