SCHEMBL14662016

SCHEMBL14662016

Cc1cc(NCCCN(C)CCCNc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KAT2B Q92831 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
SLC2A1 P11166 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL5157661 0.92 MAPT (0.50) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4954691 0.88 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4953322 0.87 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4953094 0.87 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6152006 0.86 SLC2A1 (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14003620 0.86 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14003613 0.84 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4864035 0.83 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL4858984 0.83 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14266750 0.82 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ARAB9A

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
EP-2734179-B1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO KGAA (DE) 2017-03-01 EP disclosed
US-20140245541-A1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-09-04 US disclosed
US-8821592-B1 Oxidation dye precursors HENKEL AG & CO. KGAA (DE) 2014-09-02 US disclosed
EP-2734179-A2 NOVEL OXIDATION DYE PRECURSORS Henkel AG & Co. KGaA (DE) 2014-05-28 EP disclosed
WO-2013013861-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-01-31 WO 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-20140245541-A1 NOVEL OXIDATION DYE PRECURSORS KRT18, SQOR, NDUFA5 MAPT 844/4885ALDH1A1 184/4885MEN1 4338/4885

“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.