SCHEMBL3989706

SCHEMBL3989706

NCCCNCCCNc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
CASP2 P42575 2/20 0.44
F13A1 P00488 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
THPO P40225 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL4807054 0.98 MAPT (0.46) APPCA12CA2CA4CA6
SCHEMBL12712074 0.92 MAPT (0.50) APPCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL9155154 0.92 APP (0.52) APPCA12CA2CA9MAPT
SCHEMBL12712070 0.92 MAPT (0.50) APPCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL12736723 0.90 APP (0.46) APPCASP2CYP1A2CYP2C19MAPT
SCHEMBL12736181 0.88 PRSS1 (0.48) APPMAPTALDH1A1PRSS1MAOB
SCHEMBL457665 0.86 APP (0.50) APPMAPTALDH1A1PRSS1MAOB
SCHEMBL2024986 0.85 MAPT (0.56) APPCYP1A2MEN1CYP2C19KMT2A
SCHEMBL11934926 0.84 APP (0.49) APPMAPTALDH1A1PRSS1MAOB
SCHEMBL5155907 0.83 APP (0.50) APPCYP1A2MEN1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568683-B1 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof OREAL (FR) 2009-05-27 EP claimed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US claimed
US-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL 2006-02-09 US claimed
EP-1568683-A2 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof L'OREAL (FR) 2005-08-31 EP claimed
EP-1568683-B1 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof OREAL (FR) 2009-05-27 EP disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
EP-1568683-A2 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof L'OREAL (FR) 2005-08-31 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-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof KRT18, CDC73, PRKDC APP 644/4885CA12 1415/4885CA2 3165/4885

“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.