SCHEMBL4084569

SCHEMBL4084569

CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2nc(C)c(C)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 3/20 0.39
PSMD14 O00487 1/20 0.39
MITF O75030 1/20 0.39
INSR P06213 3/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
APP P05067 1/20 0.34
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL4084574 1.00 MAPT (0.39) MAPTNPC1RAB9AKMT2APSMD14
Bromide SCHEMBL3175293 0.99 MAPT (0.38) MAPTNPC1RAB9AKMT2APSMD14
Bromide SCHEMBL3175284 0.99 MAPT (0.38) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL2768992 0.85 MAPT (0.40) MAPTNPC1RAB9AKMT2APSMD14
SCHEMBL2768989 0.85 MAPT (0.40) MAPTNPC1RAB9AKMT2APSMD14
Bromide SCHEMBL3174366 0.83 KDR (0.37) MAPTNPC1RAB9AKMT2AMEN1
Bromide SCHEMBL3174360 0.83 KDR (0.37) MAPTNPC1RAB9AKMT2AMEN1
Bromide SCHEMBL3194708 0.82 INSR (0.60) MAPTNPC1RAB9AKMT2APSMD14
Bromide SCHEMBL3194701 0.82 INSR (0.60) MAPTNPC1RAB9AKMT2APSMD14
Bromide SCHEMBL3186006 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7513917-B2 Coloring agents for keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-20070199161-A1 Coloring agents for keratin fibers WELLA OPERATIONS US, LLC 2007-08-30 US 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-20070199161-A1 Coloring agents for keratin fibers KRT18, IK, KRTCAP2 MAPT 859/4885NPC1 4178/4885RAB9A 3484/4885

“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.