SCHEMBL3381131

SCHEMBL3381131

CCN(CC[N+](C)(C)CCN(CC)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)cc1)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.48
▸ MAPT P10636 8/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ LMNA P02545 7/20 0.36
▸ KMT2A Q03164 7/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ THRB P10828 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
SCHEMBL3381126 1.00 KDR (0.48) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL15827073 0.89 KDR (0.54) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL11616761 0.89 KDR (0.53) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL15827084 0.87 KDR (0.60) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL15826858 0.85 KDR (0.48) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL2769578 0.83 KDR (0.46) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL2769580 0.83 KDR (0.46) KDRMAPTL3MBTL1SMN1; SMN2NPC1
Bromide SCHEMBL2769938 0.82 KDR (0.46) KDRMAPTL3MBTL1SMN1; SMN2NPC1
Bromide SCHEMBL2769935 0.82 KDR (0.46) KDRMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL810844 0.81 KDR (0.44) KDRMAPTL3MBTL1SMN1; SMN2NPC1

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-1433473-B1 Dyeing composition containing a specific polycationic direct dye, method of dyeing, use and multicompartment device OREAL (FR) 2010-11-17 — — EP claimed
US-7241319-B2 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2007-07-10 — — US claimed
US-20040194229-A1 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2004-10-07 — — US claimed
US-7241319-B2 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2007-07-10 — — US disclosed
US-20040194229-A1 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2004-10-07 — — 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-20040194229-A1 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices COL14A1, COL1A1, KRT18 KDR 4534/4885MAPT 477/4885L3MBTL1 4242/4885

“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.

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