SCHEMBL5155907

SCHEMBL5155907

Nc1ccc(NCCNCCNc2ccc(N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
MAPT P10636 6/20 0.48
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
RAD52 P43351 1/20 0.38
PRSS1 P07477 6/20 0.38
F2 P00734 2/20 0.36
PRSS2 P07478 2/20 0.36

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
Hydrochloric Acid SCHEMBL5467007 0.98 APP (0.48) APPMAPTGAAMAOAMAOB
SCHEMBL12736723 0.93 APP (0.46) APPMAPTGAAMAOAMAOB
SCHEMBL180817 0.92 APP (0.55) APPMAPTGAAMAOAMAOB
SCHEMBL20457645 0.91 APP (0.58) APPMAPTGAAMAOAMAOB
Hydrochloric Acid SCHEMBL4952599 0.90 APP (0.53) APPMAPTGAAMAOAMAOB
SCHEMBL14672061 0.89 MAPT (0.45) APPMAPTGAAMAOAMAOB
SCHEMBL2314808 0.89 APP (0.43) APPMAPTGAAMAOAMAOB
Hydrochloric Acid SCHEMBL4847508 0.88 APP (0.42) APPMAPTGAAMAOAMAOB
SCHEMBL12102026 0.87 MAPT (0.46) APPMAPTGAAMAOAMAOB
SCHEMBL12712074 0.86 MAPT (0.50) APPMAPTMAOAMAOBALDH1A1

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-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
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 APP 3031/4885MAPT 2521/4885GAA 4686/4885

“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.