SCHEMBL5155265

SCHEMBL5155265

Nc1ccc(NCCC(O)CCNc2ccc(N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.37
PRSS1 P07477 7/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
ST14 Q9Y5Y6 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL14594023 0.90 APP (0.41) APPMAPTRAB9AGAAPRSS1
SCHEMBL5393286 0.88 APP (0.44) APPMAPTRAB9AGAAPRSS1
SCHEMBL14594062 0.84 ALDH1A1 (0.53) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL20473718 0.83 ADRB2 (0.37) APPMAPTRAB9AGAAALDH1A1
SCHEMBL2560112 0.82 APP (0.41) APPMAPTRAB9AGAAPRSS1
SCHEMBL14594024 0.81 APP (0.46) APPMAPTRAB9AGAAPRSS1
SCHEMBL14594020 0.80 PRSS1 (0.40) APPMAPTRAB9APRSS1F2
SCHEMBL180817 0.79 APP (0.55) APPMAPTRAB9AGAAPRSS1
SCHEMBL14253823 0.79 APP (0.44) APPMAPTRAB9AGAAMAOA
SCHEMBL1924337 0.79 TDP1 (0.46) APPMAPTGAAMAOAMAOB

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
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739075-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more hydroxyl, alkoxy and/or amino groups and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739075-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more hydroxyl, alkoxy and/or amino groups and 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-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers KRT18, PLOD3, DSP APP 2895/4885MAPT 3579/4885RAB9A 4081/4885

“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.